5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane

C278H179Cl5F92O10 — CID 161177731

IUPAC5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C37H25ClF10O.C36H23ClF10O.C32H22ClF11O.C31H20ClF11O.C30H18ClF11O.C30H18F12O.C30H20F10O.C27H12F12O.C25H21F5O2/c1-2-3-4-5-6-19-7-9-24(27(39)11-19)20-12-26(38)34(29(41)13-20)22-16-30(42)35(31(43)17-22)37(47,48)49-23-8-10-25(28(40)18-23)21-14-32(44)36(46)33(45)15-21;1-2-3-4-5-18-6-8-23(26(38)10-18)19-11-25(37)33(28(40)12-19)21-15-29(41)34(30(42)16-21)36(46,47)48-22-7-9-24(27(39)17-22)20-13-31(43)35(45)32(44)14-20;1-2-3-4-5-6-16-7-8-20(22(34)9-16)17-10-21(33)28(23(35)11-17)18-12-24(36)30(25(37)13-18)32(43,44)45-19-14-26(38)29(27(39)15-19)31(40,41)42;1-2-3-4-5-15-6-7-19(21(33)8-15)16-9-20(32)27(22(34)10-16)17-11-23(35)29(24(36)12-17)31(42,43)44-18-13-25(37)28(26(38)14-18)30(39,40)41;1-2-3-4-14-5-6-18(20(32)7-14)15-8-19(31)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-14-5-6-18(19(31)7-14)15-8-20(32)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-16-5-7-17(8-6-16)18-9-10-21(22(31)11-18)19-12-23(32)28(24(33)13-19)30(39,40)41-20-14-25(34)27(26(35)15-20)29(36,37)38;1-11-2-3-15(16(28)4-11)12-5-17(29)23(18(30)6-12)13-7-19(31)25(20(32)8-13)27(38,39)40-14-9-21(33)24(22(34)10-14)26(35,36)37;1-2-3-14-12-31-25(32-13-14)16-5-7-18(21(27)9-16)15-4-6-19(20(26)8-15)17-10-22(28)24(30)23(29)11-17/h7-18H,2-6H2,1H3;6-17H,2-5H2,1H3;7-15H,2-6H2,1H3;6-14H,2-5H2,1H3;2*5-13H,2-4H2,1H3;5-15H,2-4H2,1H3;2-10H,1H3;4-11,14,25H,2-3,12-13H2,1H3
InChIKeyUSAPKHNXVCQNNH-UHFFFAOYSA-N
MW5604.56 g/mol
LogP96.50
Rot. Bonds74

About 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane

5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane (PubChem CID 161177731) has the molecular formula C278H179Cl5F92O10 and a molecular weight of 5604.56 g/mol. Its IUPAC name is 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane
PubChem CID161177731
Molecular FormulaC278H179Cl5F92O10
Molecular Weight5604.56 g/mol
Exact Mass5599.05
IUPAC Name5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C37H25ClF10O.C36H23ClF10O.C32H22ClF11O.C31H20ClF11O.C30H18ClF11O.C30H18F12O.C30H20F10O.C27H12F12O.C25H21F5O2/c1-2-3-4-5-6-19-7-9-24(27(39)11-19)20-12-26(38)34(29(41)13-20)22-16-30(42)35(31(43)17-22)37(47,48)49-23-8-10-25(28(40)18-23)21-14-32(44)36(46)33(45)15-21;1-2-3-4-5-18-6-8-23(26(38)10-18)19-11-25(37)33(28(40)12-19)21-15-29(41)34(30(42)16-21)36(46,47)48-22-7-9-24(27(39)17-22)20-13-31(43)35(45)32(44)14-20;1-2-3-4-5-6-16-7-8-20(22(34)9-16)17-10-21(33)28(23(35)11-17)18-12-24(36)30(25(37)13-18)32(43,44)45-19-14-26(38)29(27(39)15-19)31(40,41)42;1-2-3-4-5-15-6-7-19(21(33)8-15)16-9-20(32)27(22(34)10-16)17-11-23(35)29(24(36)12-17)31(42,43)44-18-13-25(37)28(26(38)14-18)30(39,40)41;1-2-3-4-14-5-6-18(20(32)7-14)15-8-19(31)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-14-5-6-18(19(31)7-14)15-8-20(32)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-16-5-7-17(8-6-16)18-9-10-21(22(31)11-18)19-12-23(32)28(24(33)13-19)30(39,40)41-20-14-25(34)27(26(35)15-20)29(36,37)38;1-11-2-3-15(16(28)4-11)12-5-17(29)23(18(30)6-12)13-7-19(31)25(20(32)8-13)27(38,39)40-14-9-21(33)24(22(34)10-14)26(35,36)37;1-2-3-14-12-31-25(32-13-14)16-5-7-18(21(27)9-16)15-4-6-19(20(26)8-15)17-10-22(28)24(30)23(29)11-17/h7-18H,2-6H2,1H3;6-17H,2-5H2,1H3;7-15H,2-6H2,1H3;6-14H,2-5H2,1H3;2*5-13H,2-4H2,1H3;5-15H,2-4H2,1H3;2-10H,1H3;4-11,14,25H,2-3,12-13H2,1H3
InChIKeyUSAPKHNXVCQNNH-UHFFFAOYSA-N
XLogP96.50
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds74
Heavy Atoms385
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005604.56
LogP ≤ 596.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane with MolForge

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What is the IUPAC name of 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane?
The IUPAC name of 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane (CID 161177731) is 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane is CCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(Cl)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane?
The InChIKey is USAPKHNXVCQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25ClF10O.C36H23ClF10O.C32H22ClF11O.C31H20ClF11O.C30H18ClF11O.C30H18F12O.C30H20F10O.C27H12F12O.C25H21F5O2/c1-2-3-4-5-6-19-7-9-24(27(39)11-19)20-12-26(38)34(29(41)13-20)22-16-30(42)35(31(43)17-22)37(47,48)49-23-8-10-25(28(40)18-23)21-14-32(44)36(46)33(45)15-21;1-2-3-4-5-18-6-8-23(26(38)10-18)19-11-25(37)33(28(40)12-19)21-15-29(41)34(30(42)16-21)36(46,47)48-22-7-9-24(27(39)17-22)20-13-31(43)35(45)32(44)14-20;1-2-3-4-5-6-16-7-8-20(22(34)9-16)17-10-21(33)28(23(35)11-17)18-12-24(36)30(25(37)13-18)32(43,44)45-19-14-26(38)29(27(39)15-19)31(40,41)42;1-2-3-4-5-15-6-7-19(21(33)8-15)16-9-20(32)27(22(34)10-16)17-11-23(35)29(24(36)12-17)31(42,43)44-18-13-25(37)28(26(38)14-18)30(39,40)41;1-2-3-4-14-5-6-18(20(32)7-14)15-8-19(31)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-14-5-6-18(19(31)7-14)15-8-20(32)26(21(33)9-15)16-10-22(34)28(23(35)11-16)30(41,42)43-17-12-24(36)27(25(37)13-17)29(38,39)40;1-2-3-4-16-5-7-17(8-6-16)18-9-10-21(22(31)11-18)19-12-23(32)28(24(33)13-19)30(39,40)41-20-14-25(34)27(26(35)15-20)29(36,37)38;1-11-2-3-15(16(28)4-11)12-5-17(29)23(18(30)6-12)13-7-19(31)25(20(32)8-13)27(38,39)40-14-9-21(33)24(22(34)10-14)26(35,36)37;1-2-3-14-12-31-25(32-13-14)16-5-7-18(21(27)9-16)15-4-6-19(20(26)8-15)17-10-22(28)24(30)23(29)11-17/h7-18H,2-6H2,1H3;6-17H,2-5H2,1H3;7-15H,2-6H2,1H3;6-14H,2-5H2,1H3;2*5-13H,2-4H2,1H3;5-15H,2-4H2,1H3;2-10H,1H3;4-11,14,25H,2-3,12-13H2,1H3.
What are the key properties of 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane?
5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane has a molecular weight of 5604.56 g/mol, XLogP of 96.50, 74 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butyl-2-fluorophenyl)-1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorobenzene;5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-hexylphenyl)benzene;1-chloro-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluoro-5-(2-fluoro-4-pentylphenyl)benzene;2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 161177731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).