5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine

C274H162ClF81N10O13 — CID 160845597

IUPAC5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine
SMILESC=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(Cl)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H22F10O2.C32H18ClF9O.C32H18F10O2.C30H16F10N2O.C30H20F8N2O.C30H19F8NO2.C29H16F10N2O2.C29H16F8N2O.C29H17F8NO/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-13-24(25(34)14-21)22-15-26(35)30(27(36)16-22)32(39,40)44-23-17-28(37)31(29(38)18-23)45-33(41,42)43;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(25(34)13-20)21-14-26(35)30(27(36)15-21)32(41,42)43-22-16-24(33)29(28(37)17-22)31(38,39)40;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(33)13-20)21-14-25(34)29(26(35)15-21)31(38,39)43-22-16-27(36)30(28(37)17-22)44-32(40,41)42;1-2-3-4-17-14-41-26(42-15-17)8-6-16-5-7-20(21(31)9-16)18-10-22(32)28(23(33)11-18)30(39,40)43-19-12-24(34)27(25(35)13-19)29(36,37)38;1-2-3-4-5-18-15-39-27(40-16-18)9-7-17-6-8-21(22(31)10-17)19-11-23(32)28(24(33)12-19)30(37,38)41-20-13-25(34)29(36)26(35)14-20;1-2-3-10-40-20-8-7-19(39-16-20)6-4-17-5-9-22(23(31)11-17)18-12-24(32)28(25(33)13-18)30(37,38)41-21-14-26(34)29(36)27(35)15-21;1-2-3-16-13-40-25(41-14-16)7-5-15-4-6-19(20(30)8-15)17-9-21(31)26(22(32)10-17)28(35,36)42-18-11-23(33)27(24(34)12-18)43-29(37,38)39;1-2-3-4-17-14-38-26(39-15-17)8-6-16-5-7-20(21(30)9-16)18-10-22(31)27(23(32)11-18)29(36,37)40-19-12-24(33)28(35)25(34)13-19;1-2-3-17-5-8-19(38-15-17)7-4-16-6-9-21(22(30)10-16)18-11-23(31)27(24(32)12-18)29(36,37)39-20-13-25(33)28(35)26(34)14-20/h6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2,5-8,11-17H,1,3-4H2;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5,7-9,11-16H,2-3,10H2,1H3;4,6,8-14H,2-3H2,1H3;2,5,7,9-15H,1,3-4H2;5-6,8-15H,2-3H2,1H3
InChIKeySIPHKDPQDQKMIR-UHFFFAOYSA-N
MW5376.66 g/mol
LogP78.97
Rot. Bonds67

About 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine

5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine (PubChem CID 160845597) has the molecular formula C274H162ClF81N10O13 and a molecular weight of 5376.66 g/mol. Its IUPAC name is 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine.

Molecular Properties

Compound Name5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine
PubChem CID160845597
Molecular FormulaC274H162ClF81N10O13
Molecular Weight5376.66 g/mol
Exact Mass5373.07
IUPAC Name5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine
SMILESC=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(Cl)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C33H22F10O2.C32H18ClF9O.C32H18F10O2.C30H16F10N2O.C30H20F8N2O.C30H19F8NO2.C29H16F10N2O2.C29H16F8N2O.C29H17F8NO/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-13-24(25(34)14-21)22-15-26(35)30(27(36)16-22)32(39,40)44-23-17-28(37)31(29(38)18-23)45-33(41,42)43;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(25(34)13-20)21-14-26(35)30(27(36)15-21)32(41,42)43-22-16-24(33)29(28(37)17-22)31(38,39)40;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(33)13-20)21-14-25(34)29(26(35)15-21)31(38,39)43-22-16-27(36)30(28(37)17-22)44-32(40,41)42;1-2-3-4-17-14-41-26(42-15-17)8-6-16-5-7-20(21(31)9-16)18-10-22(32)28(23(33)11-18)30(39,40)43-19-12-24(34)27(25(35)13-19)29(36,37)38;1-2-3-4-5-18-15-39-27(40-16-18)9-7-17-6-8-21(22(31)10-17)19-11-23(32)28(24(33)12-19)30(37,38)41-20-13-25(34)29(36)26(35)14-20;1-2-3-10-40-20-8-7-19(39-16-20)6-4-17-5-9-22(23(31)11-17)18-12-24(32)28(25(33)13-18)30(37,38)41-21-14-26(34)29(36)27(35)15-21;1-2-3-16-13-40-25(41-14-16)7-5-15-4-6-19(20(30)8-15)17-9-21(31)26(22(32)10-17)28(35,36)42-18-11-23(33)27(24(34)12-18)43-29(37,38)39;1-2-3-4-17-14-38-26(39-15-17)8-6-16-5-7-20(21(30)9-16)18-10-22(31)27(23(32)11-18)29(36,37)40-19-12-24(33)28(35)25(34)13-19;1-2-3-17-5-8-19(38-15-17)7-4-16-6-9-21(22(30)10-16)18-11-23(31)27(24(32)12-18)29(36,37)39-20-13-25(33)28(35)26(34)14-20/h6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2,5-8,11-17H,1,3-4H2;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5,7-9,11-16H,2-3,10H2,1H3;4,6,8-14H,2-3H2,1H3;2,5,7,9-15H,1,3-4H2;5-6,8-15H,2-3H2,1H3
InChIKeySIPHKDPQDQKMIR-UHFFFAOYSA-N
XLogP78.97
TPSA248.89 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds67
Heavy Atoms379
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005376.66
LogP ≤ 578.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

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What is the IUPAC name of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine?
The IUPAC name of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine (CID 160845597) is 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine.
What is the SMILES notation for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine?
The canonical SMILES for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine is C=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(Cl)c4)c(F)c3)c(F)c2)cc1.C=CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.C=CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCOc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1ccc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(C#Cc2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine?
The InChIKey is SIPHKDPQDQKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F10O2.C32H18ClF9O.C32H18F10O2.C30H16F10N2O.C30H20F8N2O.C30H19F8NO2.C29H16F10N2O2.C29H16F8N2O.C29H17F8NO/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-13-24(25(34)14-21)22-15-26(35)30(27(36)16-22)32(39,40)44-23-17-28(37)31(29(38)18-23)45-33(41,42)43;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(25(34)13-20)21-14-26(35)30(27(36)15-21)32(41,42)43-22-16-24(33)29(28(37)17-22)31(38,39)40;1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-12-23(24(33)13-20)21-14-25(34)29(26(35)15-21)31(38,39)43-22-16-27(36)30(28(37)17-22)44-32(40,41)42;1-2-3-4-17-14-41-26(42-15-17)8-6-16-5-7-20(21(31)9-16)18-10-22(32)28(23(33)11-18)30(39,40)43-19-12-24(34)27(25(35)13-19)29(36,37)38;1-2-3-4-5-18-15-39-27(40-16-18)9-7-17-6-8-21(22(31)10-17)19-11-23(32)28(24(33)12-19)30(37,38)41-20-13-25(34)29(36)26(35)14-20;1-2-3-10-40-20-8-7-19(39-16-20)6-4-17-5-9-22(23(31)11-17)18-12-24(32)28(25(33)13-18)30(37,38)41-21-14-26(34)29(36)27(35)15-21;1-2-3-16-13-40-25(41-14-16)7-5-15-4-6-19(20(30)8-15)17-9-21(31)26(22(32)10-17)28(35,36)42-18-11-23(33)27(24(34)12-18)43-29(37,38)39;1-2-3-4-17-14-38-26(39-15-17)8-6-16-5-7-20(21(30)9-16)18-10-22(31)27(23(32)11-18)29(36,37)40-19-12-24(33)28(35)25(34)13-19;1-2-3-17-5-8-19(38-15-17)7-4-16-6-9-21(22(30)10-16)18-11-23(31)27(24(32)12-18)29(36,37)39-20-13-25(33)28(35)26(34)14-20/h6-9,12-18H,2-5H2,1H3;2,5-8,11-17H,1,3-4H2;2,5-8,11-17H,1,3-4H2;2,5,7,9-15H,1,3-4H2;6,8,10-16H,2-5H2,1H3;5,7-9,11-16H,2-3,10H2,1H3;4,6,8-14H,2-3H2,1H3;2,5,7,9-15H,1,3-4H2;5-6,8-15H,2-3H2,1H3.
What are the key properties of 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine?
5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine has a molecular weight of 5376.66 g/mol, XLogP of 78.97, 67 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-but-3-enyl-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyrimidine;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butoxy-2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]pyridine;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-(4-pentylphenyl)ethynyl]phenyl]benzene;2-[2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-pentylpyrimidine;2-[2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]ethynyl]-5-propylpyridine is sourced from PubChem (CID 160845597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).