5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

C407H294Cl2F83N3O8 — CID 157190675

IUPAC5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESC=CCOc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCC1CCC(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)CO1.CCCCC1COC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC2CC(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)CCC2C1.CCCCCC1CCc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2C1.CCCCCCC12COC(C#Cc3ccc4c(F)c(C#CC(F)(F)F)ccc4c3)(OC1)OC2.CCCCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(Cl)cc3c2)cc1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)nc1.CCCCCc1ccc2c(F)c(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)cc2c1.CCCCc1cnc(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)nc1.CCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(Cl)c1.Cc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1.Cc1ccc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2c1.FCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C30H18F8.C30H30F6.C30H25F5.C26H19ClF4.C26H17F7.C26H13F5.C26H24F4O3.C25H18F5N.C25H23F5O.C24H13ClF6.C24H12F6O.C24H14F6.C23H19F5O2.C23H17F3N2.C23H21F3O.C22H11F5/c1-2-3-4-5-17-6-8-21-19(12-17)15-24(31)22(28(21)34)9-7-18-13-20-16-25(32)23(10-11-30(36,37)38)29(35)27(20)26(33)14-18;1-2-3-4-5-19-8-10-23-15-20(9-11-22(23)14-19)6-7-21-16-24-18-26(31)25(12-13-30(34,35)36)29(33)28(24)27(32)17-21;1-2-3-4-5-20-8-11-24-17-21(9-12-23(24)16-20)6-7-22-10-13-26-25(18-22)19-28(31)27(29(26)32)14-15-30(33,34)35;1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-21(16-20)17-24(27)23(25(22)28)14-15-26(29,30)31;1-2-3-4-5-17-13-22(27)20(23(28)14-17)9-7-16-6-8-19-18(12-16)15-24(29)21(25(19)30)10-11-26(31,32)33;1-16-2-7-20-13-17(5-8-19(20)12-16)3-4-18-6-9-22-21(14-18)15-24(27)23(25(22)28)10-11-26(29,30)31;1-2-3-4-5-12-24-16-31-26(32-17-24,33-18-24)14-10-19-6-9-22-21(15-19)8-7-20(23(22)27)11-13-25(28,29)30;2*1-2-3-4-5-18-7-10-20(31-16-18)9-6-17-8-11-21-19(14-17)15-23(26)22(24(21)27)12-13-25(28,29)30;1-2-3-15-11-20(25)18(21(26)12-15)7-5-14-4-6-17-16(10-14)13-22(27)19(23(17)28)8-9-24(29,30)31;1-2-11-31-18-7-6-16(21(25)14-18)5-3-15-4-8-19-17(12-15)13-22(26)20(23(19)27)9-10-24(28,29)30;25-13-1-2-16-3-5-17(6-4-16)7-8-18-9-10-20-19(14-18)15-22(26)21(23(20)27)11-12-24(28,29)30;1-2-3-4-16-13-29-21(30-14-16)8-6-15-5-7-18-17(11-15)12-20(24)19(22(18)25)9-10-23(26,27)28;1-2-3-4-19-15-27-22(28-16-19)10-7-17-5-8-21-14-18(6-9-20(21)13-17)11-12-23(24,25)26;1-2-3-22-11-8-19(16-27-22)5-4-17-6-9-21-15-18(7-10-20(21)14-17)12-13-23(24,25)26;1-14-2-4-15(5-3-14)6-7-16-8-9-18-17(12-16)13-20(23)19(21(18)24)10-11-22(25,26)27/h6,8,12-16H,2-5H2,1H3;16-20,22-23H,2-5,8-11,14-15H2,1H3;9-10,12-13,17-20H,2-5,8,11,16H2,1H3;6-9,12-13,16-17H,2-5H2,1H3;6,8,12-15H,2-5H2,1H3;2,5-9,12-15H,1H3;6-9,15H,2-5,12,16-18H2,1H3;7-8,10-11,14-16H,2-5H2,1H3;8,11,14-15,18,20H,2-5,7,10,16H2,1H3;4,6,10-13H,2-3H2,1H3;2,4,6-8,12-14H,1,11H2;3-6,9-10,14-15H,1-2,13H2;5,7,11-12,16,21H,2-4,13-14H2,1H3;5-6,8-9,13-16H,2-4H2,1H3;6-7,9-10,14-15,19,22H,2-3,8,11,16H2,1H3;2-5,8-9,12-13H,1H3
InChIKeyAPQWNWZRZYONEA-UHFFFAOYSA-N
MW7002.58 g/mol
LogP108.99
Rot. Bonds49

About 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 157190675) has the molecular formula C407H294Cl2F83N3O8 and a molecular weight of 7002.58 g/mol. Its IUPAC name is 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

Compound Name5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
PubChem CID157190675
Molecular FormulaC407H294Cl2F83N3O8
Molecular Weight7002.58 g/mol
Exact Mass6997.07
IUPAC Name5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESC=CCOc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCC1CCC(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)CO1.CCCCC1COC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC2CC(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)CCC2C1.CCCCCC1CCc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2C1.CCCCCCC12COC(C#Cc3ccc4c(F)c(C#CC(F)(F)F)ccc4c3)(OC1)OC2.CCCCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(Cl)cc3c2)cc1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)nc1.CCCCCc1ccc2c(F)c(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)cc2c1.CCCCc1cnc(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)nc1.CCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(Cl)c1.Cc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1.Cc1ccc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2c1.FCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C30H18F8.C30H30F6.C30H25F5.C26H19ClF4.C26H17F7.C26H13F5.C26H24F4O3.C25H18F5N.C25H23F5O.C24H13ClF6.C24H12F6O.C24H14F6.C23H19F5O2.C23H17F3N2.C23H21F3O.C22H11F5/c1-2-3-4-5-17-6-8-21-19(12-17)15-24(31)22(28(21)34)9-7-18-13-20-16-25(32)23(10-11-30(36,37)38)29(35)27(20)26(33)14-18;1-2-3-4-5-19-8-10-23-15-20(9-11-22(23)14-19)6-7-21-16-24-18-26(31)25(12-13-30(34,35)36)29(33)28(24)27(32)17-21;1-2-3-4-5-20-8-11-24-17-21(9-12-23(24)16-20)6-7-22-10-13-26-25(18-22)19-28(31)27(29(26)32)14-15-30(33,34)35;1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-21(16-20)17-24(27)23(25(22)28)14-15-26(29,30)31;1-2-3-4-5-17-13-22(27)20(23(28)14-17)9-7-16-6-8-19-18(12-16)15-24(29)21(25(19)30)10-11-26(31,32)33;1-16-2-7-20-13-17(5-8-19(20)12-16)3-4-18-6-9-22-21(14-18)15-24(27)23(25(22)28)10-11-26(29,30)31;1-2-3-4-5-12-24-16-31-26(32-17-24,33-18-24)14-10-19-6-9-22-21(15-19)8-7-20(23(22)27)11-13-25(28,29)30;2*1-2-3-4-5-18-7-10-20(31-16-18)9-6-17-8-11-21-19(14-17)15-23(26)22(24(21)27)12-13-25(28,29)30;1-2-3-15-11-20(25)18(21(26)12-15)7-5-14-4-6-17-16(10-14)13-22(27)19(23(17)28)8-9-24(29,30)31;1-2-11-31-18-7-6-16(21(25)14-18)5-3-15-4-8-19-17(12-15)13-22(26)20(23(19)27)9-10-24(28,29)30;25-13-1-2-16-3-5-17(6-4-16)7-8-18-9-10-20-19(14-18)15-22(26)21(23(20)27)11-12-24(28,29)30;1-2-3-4-16-13-29-21(30-14-16)8-6-15-5-7-18-17(11-15)12-20(24)19(22(18)25)9-10-23(26,27)28;1-2-3-4-19-15-27-22(28-16-19)10-7-17-5-8-21-14-18(6-9-20(21)13-17)11-12-23(24,25)26;1-2-3-22-11-8-19(16-27-22)5-4-17-6-9-21-15-18(7-10-20(21)14-17)12-13-23(24,25)26;1-14-2-4-15(5-3-14)6-7-16-8-9-18-17(12-16)13-20(23)19(21(18)24)10-11-22(25,26)27/h6,8,12-16H,2-5H2,1H3;16-20,22-23H,2-5,8-11,14-15H2,1H3;9-10,12-13,17-20H,2-5,8,11,16H2,1H3;6-9,12-13,16-17H,2-5H2,1H3;6,8,12-15H,2-5H2,1H3;2,5-9,12-15H,1H3;6-9,15H,2-5,12,16-18H2,1H3;7-8,10-11,14-16H,2-5H2,1H3;8,11,14-15,18,20H,2-5,7,10,16H2,1H3;4,6,10-13H,2-3H2,1H3;2,4,6-8,12-14H,1,11H2;3-6,9-10,14-15H,1-2,13H2;5,7,11-12,16,21H,2-4,13-14H2,1H3;5-6,8-9,13-16H,2-4H2,1H3;6-7,9-10,14-15,19,22H,2-3,8,11,16H2,1H3;2-5,8-9,12-13H,1H3
InChIKeyAPQWNWZRZYONEA-UHFFFAOYSA-N
XLogP108.99
TPSA112.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds49
Heavy Atoms503
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007002.58
LogP ≤ 5108.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The IUPAC name of 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 157190675) is 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.
What is the SMILES notation for 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The canonical SMILES for 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is C=CCOc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCC1CCC(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)CO1.CCCCC1COC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)OC1.CCCCCC1CCC2CC(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)CCC2C1.CCCCCC1CCc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2C1.CCCCCCC12COC(C#Cc3ccc4c(F)c(C#CC(F)(F)F)ccc4c3)(OC1)OC2.CCCCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(F)c1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(Cl)cc3c2)cc1.CCCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)nc1.CCCCCc1ccc2c(F)c(C#Cc3cc(F)c4c(F)c(C#CC(F)(F)F)c(F)cc4c3)c(F)cc2c1.CCCCc1cnc(C#Cc2ccc3cc(C#CC(F)(F)F)ccc3c2)nc1.CCCc1cc(F)c(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)c(Cl)c1.Cc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1.Cc1ccc2cc(C#Cc3ccc4c(F)c(C#CC(F)(F)F)c(F)cc4c3)ccc2c1.FCCCc1ccc(C#Cc2ccc3c(F)c(C#CC(F)(F)F)c(F)cc3c2)cc1.
What is the InChIKey of 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The InChIKey is APQWNWZRZYONEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F8.C30H30F6.C30H25F5.C26H19ClF4.C26H17F7.C26H13F5.C26H24F4O3.C25H18F5N.C25H23F5O.C24H13ClF6.C24H12F6O.C24H14F6.C23H19F5O2.C23H17F3N2.C23H21F3O.C22H11F5/c1-2-3-4-5-17-6-8-21-19(12-17)15-24(31)22(28(21)34)9-7-18-13-20-16-25(32)23(10-11-30(36,37)38)29(35)27(20)26(33)14-18;1-2-3-4-5-19-8-10-23-15-20(9-11-22(23)14-19)6-7-21-16-24-18-26(31)25(12-13-30(34,35)36)29(33)28(24)27(32)17-21;1-2-3-4-5-20-8-11-24-17-21(9-12-23(24)16-20)6-7-22-10-13-26-25(18-22)19-28(31)27(29(26)32)14-15-30(33,34)35;1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-13-22-21(16-20)17-24(27)23(25(22)28)14-15-26(29,30)31;1-2-3-4-5-17-13-22(27)20(23(28)14-17)9-7-16-6-8-19-18(12-16)15-24(29)21(25(19)30)10-11-26(31,32)33;1-16-2-7-20-13-17(5-8-19(20)12-16)3-4-18-6-9-22-21(14-18)15-24(27)23(25(22)28)10-11-26(29,30)31;1-2-3-4-5-12-24-16-31-26(32-17-24,33-18-24)14-10-19-6-9-22-21(15-19)8-7-20(23(22)27)11-13-25(28,29)30;2*1-2-3-4-5-18-7-10-20(31-16-18)9-6-17-8-11-21-19(14-17)15-23(26)22(24(21)27)12-13-25(28,29)30;1-2-3-15-11-20(25)18(21(26)12-15)7-5-14-4-6-17-16(10-14)13-22(27)19(23(17)28)8-9-24(29,30)31;1-2-11-31-18-7-6-16(21(25)14-18)5-3-15-4-8-19-17(12-15)13-22(26)20(23(19)27)9-10-24(28,29)30;25-13-1-2-16-3-5-17(6-4-16)7-8-18-9-10-20-19(14-18)15-22(26)21(23(20)27)11-12-24(28,29)30;1-2-3-4-16-13-29-21(30-14-16)8-6-15-5-7-18-17(11-15)12-20(24)19(22(18)25)9-10-23(26,27)28;1-2-3-4-19-15-27-22(28-16-19)10-7-17-5-8-21-14-18(6-9-20(21)13-17)11-12-23(24,25)26;1-2-3-22-11-8-19(16-27-22)5-4-17-6-9-21-15-18(7-10-20(21)14-17)12-13-23(24,25)26;1-14-2-4-15(5-3-14)6-7-16-8-9-18-17(12-16)13-20(23)19(21(18)24)10-11-22(25,26)27/h6,8,12-16H,2-5H2,1H3;16-20,22-23H,2-5,8-11,14-15H2,1H3;9-10,12-13,17-20H,2-5,8,11,16H2,1H3;6-9,12-13,16-17H,2-5H2,1H3;6,8,12-15H,2-5H2,1H3;2,5-9,12-15H,1H3;6-9,15H,2-5,12,16-18H2,1H3;7-8,10-11,14-16H,2-5H2,1H3;8,11,14-15,18,20H,2-5,7,10,16H2,1H3;4,6,10-13H,2-3H2,1H3;2,4,6-8,12-14H,1,11H2;3-6,9-10,14-15H,1-2,13H2;5,7,11-12,16,21H,2-4,13-14H2,1H3;5-6,8-9,13-16H,2-4H2,1H3;6-7,9-10,14-15,19,22H,2-3,8,11,16H2,1H3;2-5,8-9,12-13H,1H3.
What are the key properties of 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 7002.58 g/mol, XLogP of 108.99, 49 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-1,3-dioxane;5-butyl-2-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]pyrimidine;3-chloro-1-fluoro-6-[2-(4-pentylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2-chloro-6-fluoro-4-propylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-[4-(3-fluoropropyl)phenyl]ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-methylnaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(4-methylphenyl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(1,3-difluoro-6-pentylnaphthalen-2-yl)ethynyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;6-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;1,3-difluoro-6-[2-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentyloxane;2-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-5-pentylpyridine;1-[2-[5-fluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-propyl-5-[2-[6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]oxane;1,3,8-trifluoro-6-[2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethynyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 157190675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).