5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene

C281H156F94O14 — CID 159539352

About 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene

5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene (PubChem CID 159539352) has the molecular formula C281H156F94O14 and a molecular weight of 5542.14 g/mol. Its IUPAC name is 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene.

Molecular Properties

• Compound Name: 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene
• PubChem CID: 159539352
• Molecular Formula: C281H156F94O14
• Molecular Weight: 5542.14 g/mol
• Exact Mass: 5539.00
• IUPAC Name: 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene
• SMILES: C/C=C/CCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCOc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1
• InChI: InChI=1S/C33H20F12O.C32H18F12O3.C32H20F10O.C32H18F10O.C31H18F10O2.C31H18F10O.C31H16F10O.C30H14F10O2.C29H14F10O2/c1-2-3-4-5-17-6-8-19(22(34)10-17)9-7-18-11-25(37)31(26(38)12-18)33(44,45)46-21-15-23(35)29(24(36)16-21)20-13-27(39)30(28(40)14-20)32(41,42)43;1-2-3-8-45-19-7-6-17(21(33)13-19)5-4-16-9-24(36)29(25(37)10-16)31(40,41)46-20-14-22(34)28(23(35)15-20)18-11-26(38)30(27(39)12-18)47-32(42,43)44;2*1-2-3-4-5-17-10-23(33)22(24(34)11-17)8-6-18-12-26(36)30(27(37)13-18)32(41,42)43-20-7-9-21(25(35)16-20)19-14-28(38)31(40)29(39)15-19;1-2-3-8-42-19-7-6-17(21(32)13-19)5-4-16-9-24(35)29(25(36)10-16)31(40,41)43-20-14-22(33)28(23(34)15-20)18-11-26(37)30(39)27(38)12-18;2*1-2-3-4-16-9-22(32)21(23(33)10-16)7-5-17-11-25(35)29(26(36)12-17)31(40,41)42-19-6-8-20(24(34)15-19)18-13-27(37)30(39)28(38)14-18;1-2-7-41-18-6-5-16(20(31)12-18)4-3-15-8-23(34)28(24(35)9-15)30(39,40)42-19-13-21(32)27(22(33)14-19)17-10-25(36)29(38)26(37)11-17;1-2-40-17-12-21(31)19(22(32)13-17)5-3-14-7-23(33)27(24(34)8-14)29(38,39)41-16-4-6-18(20(30)11-16)15-9-25(35)28(37)26(36)10-15/h6,8,10-16H,2-5H2,1H3;6-7,9-15H,2-3,8H2,1H3;7,9-16H,2-5H2,1H3;2-3,7,9-16H,4-5H2,1H3;6-7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;2,6,8-15H,1,3-4H2;2,5-6,8-14H,1,7H2;4,6-13H,2H2,1H3/b;;;3-2+
• InChIKey: MDZQMPIJAUZESG-JSIQJNEASA-N
• XLogP: 84.35
• TPSA: 129.22 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 67
• Heavy Atoms: 389
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5542.14
LogP ≤ 5	84.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene?

The IUPAC name of 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene (CID 159539352) is 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene.

What is the SMILES notation for 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene?

The canonical SMILES for 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene is C/C=C/CCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.C=CCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCOc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3cc(F)c(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCOc1cc(F)c(C#Cc2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.

What is the InChIKey of 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene?

The InChIKey is MDZQMPIJAUZESG-JSIQJNEASA-N. The full InChI is InChI=1S/C33H20F12O.C32H18F12O3.C32H20F10O.C32H18F10O.C31H18F10O2.C31H18F10O.C31H16F10O.C30H14F10O2.C29H14F10O2/c1-2-3-4-5-17-6-8-19(22(34)10-17)9-7-18-11-25(37)31(26(38)12-18)33(44,45)46-21-15-23(35)29(24(36)16-21)20-13-27(39)30(28(40)14-20)32(41,42)43;1-2-3-8-45-19-7-6-17(21(33)13-19)5-4-16-9-24(36)29(25(37)10-16)31(40,41)46-20-14-22(34)28(23(35)15-20)18-11-26(38)30(27(39)12-18)47-32(42,43)44;2*1-2-3-4-5-17-10-23(33)22(24(34)11-17)8-6-18-12-26(36)30(27(37)13-18)32(41,42)43-20-7-9-21(25(35)16-20)19-14-28(38)31(40)29(39)15-19;1-2-3-8-42-19-7-6-17(21(32)13-19)5-4-16-9-24(35)29(25(36)10-16)31(40,41)43-20-14-22(33)28(23(34)15-20)18-11-26(37)30(39)27(38)12-18;2*1-2-3-4-16-9-22(32)21(23(33)10-16)7-5-17-11-25(35)29(26(36)12-17)31(40,41)42-19-6-8-20(24(34)15-19)18-13-27(37)30(39)28(38)14-18;1-2-7-41-18-6-5-16(20(31)12-18)4-3-15-8-23(34)28(24(35)9-15)30(39,40)42-19-13-21(32)27(22(33)14-19)17-10-25(36)29(38)26(37)11-17;1-2-40-17-12-21(31)19(22(32)13-17)5-3-14-7-23(33)27(24(34)8-14)29(38,39)41-16-4-6-18(20(30)11-16)15-9-25(35)28(37)26(36)10-15/h6,8,10-16H,2-5H2,1H3;6-7,9-15H,2-3,8H2,1H3;7,9-16H,2-5H2,1H3;2-3,7,9-16H,4-5H2,1H3;6-7,9-15H,2-3,8H2,1H3;6,8-15H,2-4H2,1H3;2,6,8-15H,1,3-4H2;2,5-6,8-14H,1,7H2;4,6-13H,2H2,1H3/b;;;3-2+;;;;;.

What are the key properties of 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene?

5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene has a molecular weight of 5542.14 g/mol, XLogP of 84.35, 67 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-but-3-enyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-(4-butoxy-2-fluorophenyl)ethynyl]-2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-butyl-2-[2-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]-1,3-difluorobenzene;2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[2-(4-ethoxy-2,6-difluorophenyl)ethynyl]-1,3-difluorobenzene;2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-pentylphenyl)ethynyl]benzene;2-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethynyl]benzene is sourced from PubChem (CID 159539352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).