1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene

C249H300F36O9 — CID 159057657

IUPAC1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C31H40F4O.C30H38F4O.2C29H36F4O.C28H34F4O.C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O/c1-3-5-7-8-9-10-11-21-36-27-20-19-26(30(34)31(27)35)25-18-17-24(28(32)29(25)33)23-15-13-22(14-16-23)12-6-4-2;1-3-5-7-8-9-10-20-35-26-19-18-25(29(33)30(26)34)24-17-16-23(27(31)28(24)32)22-14-12-21(13-15-22)11-6-4-2;1-3-5-7-8-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-6-4-2;1-3-5-7-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-8-6-4-2;1-3-5-7-9-19-10-12-20(13-11-19)21-14-15-22(26(30)25(21)29)23-16-17-24(28(32)27(23)31)33-18-8-6-4-2;1-3-5-7-8-18-9-11-19(12-10-18)20-13-14-21(25(29)24(20)28)22-15-16-23(27(31)26(22)30)32-17-6-4-2;1-3-5-6-7-17-8-10-18(11-9-17)19-12-13-20(24(28)23(19)27)21-14-15-22(31-16-4-2)26(30)25(21)29;1-3-5-6-7-16-8-10-17(11-9-16)18-12-13-19(23(27)22(18)26)20-14-15-21(30-4-2)25(29)24(20)28;1-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(22(26)21(17)25)19-13-14-20(29-2)24(28)23(19)27/h4,6,17-20,22-23H,3,5,7-16,21H2,1-2H3;4,6,16-19,21-22H,3,5,7-15,20H2,1-2H3;4,6,15-18,20-21H,3,5,7-14,19H2,1-2H3;6,8,15-18,20-21H,3-5,7,9-14,19H2,1-2H3;5,7,14-17,19-20H,3-4,6,8-13,18H2,1-2H3;5,7,13-16,18-19H,3-4,6,8-12,17H2,1-2H3;5-6,12-15,17-18H,3-4,7-11,16H2,1-2H3;5-6,12-17H,3-4,7-11H2,1-2H3;4-5,11-16H,3,6-10H2,1-2H3/b3*6-4-;8-6-;2*7-5-;2*6-5-;5-4-
InChIKeyJYBHFUVQGMUSFZ-POSUIZPKSA-N
MW4121.06 g/mol
LogP80.81
Rot. Bonds87

About 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene

1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 159057657) has the molecular formula C249H300F36O9 and a molecular weight of 4121.06 g/mol. Its IUPAC name is 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID159057657
Molecular FormulaC249H300F36O9
Molecular Weight4121.06 g/mol
Exact Mass4118.24
IUPAC Name1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C31H40F4O.C30H38F4O.2C29H36F4O.C28H34F4O.C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O/c1-3-5-7-8-9-10-11-21-36-27-20-19-26(30(34)31(27)35)25-18-17-24(28(32)29(25)33)23-15-13-22(14-16-23)12-6-4-2;1-3-5-7-8-9-10-20-35-26-19-18-25(29(33)30(26)34)24-17-16-23(27(31)28(24)32)22-14-12-21(13-15-22)11-6-4-2;1-3-5-7-8-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-6-4-2;1-3-5-7-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-8-6-4-2;1-3-5-7-9-19-10-12-20(13-11-19)21-14-15-22(26(30)25(21)29)23-16-17-24(28(32)27(23)31)33-18-8-6-4-2;1-3-5-7-8-18-9-11-19(12-10-18)20-13-14-21(25(29)24(20)28)22-15-16-23(27(31)26(22)30)32-17-6-4-2;1-3-5-6-7-17-8-10-18(11-9-17)19-12-13-20(24(28)23(19)27)21-14-15-22(31-16-4-2)26(30)25(21)29;1-3-5-6-7-16-8-10-17(11-9-16)18-12-13-19(23(27)22(18)26)20-14-15-21(30-4-2)25(29)24(20)28;1-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(22(26)21(17)25)19-13-14-20(29-2)24(28)23(19)27/h4,6,17-20,22-23H,3,5,7-16,21H2,1-2H3;4,6,16-19,21-22H,3,5,7-15,20H2,1-2H3;4,6,15-18,20-21H,3,5,7-14,19H2,1-2H3;6,8,15-18,20-21H,3-5,7,9-14,19H2,1-2H3;5,7,14-17,19-20H,3-4,6,8-13,18H2,1-2H3;5,7,13-16,18-19H,3-4,6,8-12,17H2,1-2H3;5-6,12-15,17-18H,3-4,7-11,16H2,1-2H3;5-6,12-17H,3-4,7-11H2,1-2H3;4-5,11-16H,3,6-10H2,1-2H3/b3*6-4-;8-6-;2*7-5-;2*6-5-;5-4-
InChIKeyJYBHFUVQGMUSFZ-POSUIZPKSA-N
XLogP80.81
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds87
Heavy Atoms294
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004121.06
LogP ≤ 580.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene (CID 159057657) is 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene is C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1.
What is the InChIKey of 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is JYBHFUVQGMUSFZ-POSUIZPKSA-N. The full InChI is InChI=1S/C31H40F4O.C30H38F4O.2C29H36F4O.C28H34F4O.C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O/c1-3-5-7-8-9-10-11-21-36-27-20-19-26(30(34)31(27)35)25-18-17-24(28(32)29(25)33)23-15-13-22(14-16-23)12-6-4-2;1-3-5-7-8-9-10-20-35-26-19-18-25(29(33)30(26)34)24-17-16-23(27(31)28(24)32)22-14-12-21(13-15-22)11-6-4-2;1-3-5-7-8-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-6-4-2;1-3-5-7-9-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(12-14-21)10-8-6-4-2;1-3-5-7-9-19-10-12-20(13-11-19)21-14-15-22(26(30)25(21)29)23-16-17-24(28(32)27(23)31)33-18-8-6-4-2;1-3-5-7-8-18-9-11-19(12-10-18)20-13-14-21(25(29)24(20)28)22-15-16-23(27(31)26(22)30)32-17-6-4-2;1-3-5-6-7-17-8-10-18(11-9-17)19-12-13-20(24(28)23(19)27)21-14-15-22(31-16-4-2)26(30)25(21)29;1-3-5-6-7-16-8-10-17(11-9-16)18-12-13-19(23(27)22(18)26)20-14-15-21(30-4-2)25(29)24(20)28;1-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(22(26)21(17)25)19-13-14-20(29-2)24(28)23(19)27/h4,6,17-20,22-23H,3,5,7-16,21H2,1-2H3;4,6,16-19,21-22H,3,5,7-15,20H2,1-2H3;4,6,15-18,20-21H,3,5,7-14,19H2,1-2H3;6,8,15-18,20-21H,3-5,7,9-14,19H2,1-2H3;5,7,14-17,19-20H,3-4,6,8-13,18H2,1-2H3;5,7,13-16,18-19H,3-4,6,8-12,17H2,1-2H3;5-6,12-15,17-18H,3-4,7-11,16H2,1-2H3;5-6,12-17H,3-4,7-11H2,1-2H3;4-5,11-16H,3,6-10H2,1-2H3/b3*6-4-;8-6-;2*7-5-;2*6-5-;5-4-.
What are the key properties of 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 4121.06 g/mol, XLogP of 80.81, 87 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-heptoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene;1-[4-[(Z)-but-2-enyl]cyclohexyl]-4-(2,3-difluoro-4-octoxyphenyl)-2,3-difluorobenzene;1-butoxy-4-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-pentoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 159057657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).