2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine

C216H149F61N2O15 — CID 159119324

IUPAC2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
SMILESCCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCC12COC(c3cc(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)(OC1)OC2.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.COCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C40H25F10NO.C37H28F10O4.C36H27F11O2.C36H23F10NO.C35H26F10O3.C32H20F10O4/c1-2-3-4-5-22-6-13-35(51-21-22)24-8-11-30-26(17-24)19-34(43)36(38(30)45)40(49,50)52-27-9-12-28(33(42)20-27)23-7-10-29-25(16-23)18-32(41)31(37(29)44)14-15-39(46,47)48;1-2-3-4-5-11-34-18-48-37(49-19-34,50-20-34)23-15-30(40)32(31(41)16-23)36(46,47)51-24-7-9-25(29(39)17-24)21-6-8-26-22(13-21)14-28(38)27(33(26)42)10-12-35(43,44)45;1-2-3-4-5-19-6-9-31(48-18-19)21-14-29(40)33(30(41)15-21)36(46,47)49-23-7-8-24(27(38)17-23)20-12-22-16-26(37)25(10-11-35(43,44)45)34(42)32(22)28(39)13-20;1-2-3-4-5-20-6-11-32(47-19-20)23-16-30(39)33(31(40)17-23)36(45,46)48-24-8-10-25(29(38)18-24)21-7-9-26-22(14-21)15-28(37)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)22-14-29(38)31(30(39)15-22)35(44,45)48-23-7-9-24(28(37)16-23)20-6-8-25-21(12-20)13-27(36)26(32(25)40)10-11-34(41,42)43;1-43-13-16-14-44-30(45-15-16)19-10-26(35)28(27(36)11-19)32(41,42)46-20-3-5-21(25(34)12-20)17-2-4-22-18(8-17)9-24(33)23(29(22)37)6-7-31(38,39)40/h6-13,16-21H,2-5H2,1H3;6-9,13-17H,2-5,11,18-20H2,1H3;7-8,12-17,19,31H,2-6,9,18H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-16,19,33H,2-5,17-18H2,1H3;2-5,8-12,16,30H,13-15H2,1H3
InChIKeyKFMHKBKBJHRCOP-UHFFFAOYSA-N
MW4171.44 g/mol
LogP64.09
Rot. Bonds53

About 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine

2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine (PubChem CID 159119324) has the molecular formula C216H149F61N2O15 and a molecular weight of 4171.44 g/mol. Its IUPAC name is 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
PubChem CID159119324
Molecular FormulaC216H149F61N2O15
Molecular Weight4171.44 g/mol
Exact Mass4169.00
IUPAC Name2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
SMILESCCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCC12COC(c3cc(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)(OC1)OC2.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.COCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C40H25F10NO.C37H28F10O4.C36H27F11O2.C36H23F10NO.C35H26F10O3.C32H20F10O4/c1-2-3-4-5-22-6-13-35(51-21-22)24-8-11-30-26(17-24)19-34(43)36(38(30)45)40(49,50)52-27-9-12-28(33(42)20-27)23-7-10-29-25(16-23)18-32(41)31(37(29)44)14-15-39(46,47)48;1-2-3-4-5-11-34-18-48-37(49-19-34,50-20-34)23-15-30(40)32(31(41)16-23)36(46,47)51-24-7-9-25(29(39)17-24)21-6-8-26-22(13-21)14-28(38)27(33(26)42)10-12-35(43,44)45;1-2-3-4-5-19-6-9-31(48-18-19)21-14-29(40)33(30(41)15-21)36(46,47)49-23-7-8-24(27(38)17-23)20-12-22-16-26(37)25(10-11-35(43,44)45)34(42)32(22)28(39)13-20;1-2-3-4-5-20-6-11-32(47-19-20)23-16-30(39)33(31(40)17-23)36(45,46)48-24-8-10-25(29(38)18-24)21-7-9-26-22(14-21)15-28(37)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)22-14-29(38)31(30(39)15-22)35(44,45)48-23-7-9-24(28(37)16-23)20-6-8-25-21(12-20)13-27(36)26(32(25)40)10-11-34(41,42)43;1-43-13-16-14-44-30(45-15-16)19-10-26(35)28(27(36)11-19)32(41,42)46-20-3-5-21(25(34)12-20)17-2-4-22-18(8-17)9-24(33)23(29(22)37)6-7-31(38,39)40/h6-13,16-21H,2-5H2,1H3;6-9,13-17H,2-5,11,18-20H2,1H3;7-8,12-17,19,31H,2-6,9,18H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-16,19,33H,2-5,17-18H2,1H3;2-5,8-12,16,30H,13-15H2,1H3
InChIKeyKFMHKBKBJHRCOP-UHFFFAOYSA-N
XLogP64.09
TPSA164.23 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds53
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004171.44
LogP ≤ 564.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The IUPAC name of 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine (CID 159119324) is 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine is CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.CCCCCCC12COC(c3cc(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)c3)(OC1)OC2.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2ccc3c(F)c(C(F)(F)Oc4ccc(-c5ccc6c(F)c(C#CC(F)(F)F)c(F)cc6c5)c(F)c4)c(F)cc3c2)nc1.COCC1COC(c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc5c(F)c(C#CC(F)(F)F)c(F)cc5c4)c(F)c3)c(F)c2)OC1.
What is the InChIKey of 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
The InChIKey is KFMHKBKBJHRCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F10NO.C37H28F10O4.C36H27F11O2.C36H23F10NO.C35H26F10O3.C32H20F10O4/c1-2-3-4-5-22-6-13-35(51-21-22)24-8-11-30-26(17-24)19-34(43)36(38(30)45)40(49,50)52-27-9-12-28(33(42)20-27)23-7-10-29-25(16-23)18-32(41)31(37(29)44)14-15-39(46,47)48;1-2-3-4-5-11-34-18-48-37(49-19-34,50-20-34)23-15-30(40)32(31(41)16-23)36(46,47)51-24-7-9-25(29(39)17-24)21-6-8-26-22(13-21)14-28(38)27(33(26)42)10-12-35(43,44)45;1-2-3-4-5-19-6-9-31(48-18-19)21-14-29(40)33(30(41)15-21)36(46,47)49-23-7-8-24(27(38)17-23)20-12-22-16-26(37)25(10-11-35(43,44)45)34(42)32(22)28(39)13-20;1-2-3-4-5-20-6-11-32(47-19-20)23-16-30(39)33(31(40)17-23)36(45,46)48-24-8-10-25(29(38)18-24)21-7-9-26-22(14-21)15-28(37)27(34(26)41)12-13-35(42,43)44;1-2-3-4-5-19-17-46-33(47-18-19)22-14-29(38)31(30(39)15-22)35(44,45)48-23-7-9-24(28(37)16-23)20-6-8-25-21(12-20)13-27(36)26(32(25)40)10-11-34(41,42)43;1-43-13-16-14-44-30(45-15-16)19-10-26(35)28(27(36)11-19)32(41,42)46-20-3-5-21(25(34)12-20)17-2-4-22-18(8-17)9-24(33)23(29(22)37)6-7-31(38,39)40/h6-13,16-21H,2-5H2,1H3;6-9,13-17H,2-5,11,18-20H2,1H3;7-8,12-17,19,31H,2-6,9,18H2,1H3;6-11,14-19H,2-5H2,1H3;6-9,12-16,19,33H,2-5,17-18H2,1H3;2-5,8-12,16,30H,13-15H2,1H3.
What are the key properties of 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine?
2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine has a molecular weight of 4171.44 g/mol, XLogP of 64.09, 53 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-[3-fluoro-4-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]phenoxy]methyl]-3,5-difluorophenyl]-5-pentyloxane;2-[6-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine;1-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-4-hexyl-2,6,7-trioxabicyclo[2.2.2]octane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(methoxymethyl)-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentyl-1,3-dioxane;2-[4-[[4-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine is sourced from PubChem (CID 159119324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).