5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine

C271H165F76N9O12 — CID 157231012

IUPAC5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine
SMILESC=CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C32H22F8O.C31H20F10N2O2.C31H17F10NO.C31H20F8O.C31H18F8O.C29H18F8N2O2.C29H18F8N2O.C29H17F8NO.C28H15F8NO2/c1-2-3-4-5-19-6-9-21(10-7-19)23-16-26(34)30(27(35)17-23)32(39,40)41-24-13-12-22(25(33)18-24)11-8-20-14-28(36)31(38)29(37)15-20;1-2-3-4-5-18-15-42-29(43-16-18)19-7-9-22(25(34)12-19)30(37,38)44-20-13-23(32)21(24(33)14-20)8-6-17-10-26(35)28(27(36)11-17)45-31(39,40)41;1-2-3-4-17-6-10-28(42-16-17)19-7-9-22(25(34)13-19)31(40,41)43-20-14-23(32)21(24(33)15-20)8-5-18-11-26(35)29(27(36)12-18)30(37,38)39;2*1-2-3-4-18-5-8-20(9-6-18)22-15-25(33)29(26(34)16-22)31(38,39)40-23-12-11-21(24(32)17-23)10-7-19-13-27(35)30(37)28(36)14-19;1-2-3-8-40-19-14-38-28(39-15-19)17-5-7-21(24(32)11-17)29(36,37)41-18-12-22(30)20(23(31)13-18)6-4-16-9-25(33)27(35)26(34)10-16;1-2-3-4-17-14-38-28(39-15-17)18-6-8-21(24(32)11-18)29(36,37)40-19-12-22(30)20(23(31)13-19)7-5-16-9-25(33)27(35)26(34)10-16;1-2-3-16-5-9-27(38-15-16)18-6-8-21(24(32)12-18)29(36,37)39-19-13-22(30)20(23(31)14-19)7-4-17-10-25(33)28(35)26(34)11-17;1-2-38-17-5-8-26(37-14-17)16-4-7-20(23(31)11-16)28(35,36)39-18-12-21(29)19(22(30)13-18)6-3-15-9-24(32)27(34)25(33)10-15/h6-7,9-10,12-18H,2-5H2,1H3;7,9-16H,2-5H2,1H3;2,6-7,9-16H,1,3-4H2;5-6,8-9,11-17H,2-4H2,1H3;2,5-6,8-9,11-17H,1,3-4H2;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;5-6,8-15H,2-3H2,1H3;4-5,7-14H,2H2,1H3
InChIKeyAUCGRQFOYTUZJW-UHFFFAOYSA-N
MW5183.20 g/mol
LogP76.56
Rot. Bonds65

About 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine

5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine (PubChem CID 157231012) has the molecular formula C271H165F76N9O12 and a molecular weight of 5183.20 g/mol. Its IUPAC name is 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine.

Molecular Properties

Compound Name5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine
PubChem CID157231012
Molecular FormulaC271H165F76N9O12
Molecular Weight5183.20 g/mol
Exact Mass5180.14
IUPAC Name5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine
SMILESC=CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C32H22F8O.C31H20F10N2O2.C31H17F10NO.C31H20F8O.C31H18F8O.C29H18F8N2O2.C29H18F8N2O.C29H17F8NO.C28H15F8NO2/c1-2-3-4-5-19-6-9-21(10-7-19)23-16-26(34)30(27(35)17-23)32(39,40)41-24-13-12-22(25(33)18-24)11-8-20-14-28(36)31(38)29(37)15-20;1-2-3-4-5-18-15-42-29(43-16-18)19-7-9-22(25(34)12-19)30(37,38)44-20-13-23(32)21(24(33)14-20)8-6-17-10-26(35)28(27(36)11-17)45-31(39,40)41;1-2-3-4-17-6-10-28(42-16-17)19-7-9-22(25(34)13-19)31(40,41)43-20-14-23(32)21(24(33)15-20)8-5-18-11-26(35)29(27(36)12-18)30(37,38)39;2*1-2-3-4-18-5-8-20(9-6-18)22-15-25(33)29(26(34)16-22)31(38,39)40-23-12-11-21(24(32)17-23)10-7-19-13-27(35)30(37)28(36)14-19;1-2-3-8-40-19-14-38-28(39-15-19)17-5-7-21(24(32)11-17)29(36,37)41-18-12-22(30)20(23(31)13-18)6-4-16-9-25(33)27(35)26(34)10-16;1-2-3-4-17-14-38-28(39-15-17)18-6-8-21(24(32)11-18)29(36,37)40-19-12-22(30)20(23(31)13-19)7-5-16-9-25(33)27(35)26(34)10-16;1-2-3-16-5-9-27(38-15-16)18-6-8-21(24(32)12-18)29(36,37)39-19-13-22(30)20(23(31)14-19)7-4-17-10-25(33)28(35)26(34)11-17;1-2-38-17-5-8-26(37-14-17)16-4-7-20(23(31)11-16)28(35,36)39-18-12-21(29)19(22(30)13-18)6-3-15-9-24(32)27(34)25(33)10-15/h6-7,9-10,12-18H,2-5H2,1H3;7,9-16H,2-5H2,1H3;2,6-7,9-16H,1,3-4H2;5-6,8-9,11-17H,2-4H2,1H3;2,5-6,8-9,11-17H,1,3-4H2;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;5-6,8-15H,2-3H2,1H3;4-5,7-14H,2H2,1H3
InChIKeyAUCGRQFOYTUZJW-UHFFFAOYSA-N
XLogP76.56
TPSA226.77 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds65
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005183.20
LogP ≤ 576.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine?
The IUPAC name of 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine (CID 157231012) is 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine.
What is the SMILES notation for 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine?
The canonical SMILES for 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine is C=CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1cnc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCOc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(C#Cc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine?
The InChIKey is AUCGRQFOYTUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F8O.C31H20F10N2O2.C31H17F10NO.C31H20F8O.C31H18F8O.C29H18F8N2O2.C29H18F8N2O.C29H17F8NO.C28H15F8NO2/c1-2-3-4-5-19-6-9-21(10-7-19)23-16-26(34)30(27(35)17-23)32(39,40)41-24-13-12-22(25(33)18-24)11-8-20-14-28(36)31(38)29(37)15-20;1-2-3-4-5-18-15-42-29(43-16-18)19-7-9-22(25(34)12-19)30(37,38)44-20-13-23(32)21(24(33)14-20)8-6-17-10-26(35)28(27(36)11-17)45-31(39,40)41;1-2-3-4-17-6-10-28(42-16-17)19-7-9-22(25(34)13-19)31(40,41)43-20-14-23(32)21(24(33)15-20)8-5-18-11-26(35)29(27(36)12-18)30(37,38)39;2*1-2-3-4-18-5-8-20(9-6-18)22-15-25(33)29(26(34)16-22)31(38,39)40-23-12-11-21(24(32)17-23)10-7-19-13-27(35)30(37)28(36)14-19;1-2-3-8-40-19-14-38-28(39-15-19)17-5-7-21(24(32)11-17)29(36,37)41-18-12-22(30)20(23(31)13-18)6-4-16-9-25(33)27(35)26(34)10-16;1-2-3-4-17-14-38-28(39-15-17)18-6-8-21(24(32)11-18)29(36,37)40-19-12-22(30)20(23(31)13-19)7-5-16-9-25(33)27(35)26(34)10-16;1-2-3-16-5-9-27(38-15-16)18-6-8-21(24(32)12-18)29(36,37)39-19-13-22(30)20(23(31)14-19)7-4-17-10-25(33)28(35)26(34)11-17;1-2-38-17-5-8-26(37-14-17)16-4-7-20(23(31)11-16)28(35,36)39-18-12-21(29)19(22(30)13-18)6-3-15-9-24(32)27(34)25(33)10-15/h6-7,9-10,12-18H,2-5H2,1H3;7,9-16H,2-5H2,1H3;2,6-7,9-16H,1,3-4H2;5-6,8-9,11-17H,2-4H2,1H3;2,5-6,8-9,11-17H,1,3-4H2;5,7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;5-6,8-15H,2-3H2,1H3;4-5,7-14H,2H2,1H3.
What are the key properties of 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine?
5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine has a molecular weight of 5183.20 g/mol, XLogP of 76.56, 65 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]pyridine;5-(4-but-3-enylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;5-butoxy-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-(4-butylphenyl)-2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene;2-[4-[[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-ethoxypyridine;2-[4-[[3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethynyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-5-propylpyridine is sourced from PubChem (CID 157231012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).