1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene

C231H264F36O9 — CID 160538419

IUPAC1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C/C1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C29H36F4O.C28H34F4O.2C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O.C23H24F4O.C22H22F4O/c1-3-5-6-7-8-9-10-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(4-2)12-14-21;1-3-5-6-7-8-9-18-33-24-17-16-23(27(31)28(24)32)22-15-14-21(25(29)26(22)30)20-12-10-19(4-2)11-13-20;1-3-5-6-7-8-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(4-2)10-12-19;1-3-5-6-7-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(8-4-2)10-12-19;1-3-5-6-16-31-22-15-14-21(25(29)26(22)30)20-13-12-19(23(27)24(20)28)18-10-8-17(7-4-2)9-11-18;1-3-5-15-30-21-14-13-20(24(28)25(21)29)19-12-11-18(22(26)23(19)27)17-9-7-16(6-4-2)8-10-17;1-3-5-15-6-8-16(9-7-15)17-10-11-18(22(26)21(17)25)19-12-13-20(29-14-4-2)24(28)23(19)27;1-3-5-14-6-8-15(9-7-14)16-10-11-17(21(25)20(16)24)18-12-13-19(28-4-2)23(27)22(18)26;1-3-4-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-2)22(26)21(17)25/h4,15-18,20-21H,2-3,5-14,19H2,1H3;4,14-17,19-20H,2-3,5-13,18H2,1H3;4,13-16,18-19H,2-3,5-12,17H2,1H3;4,8,13-16,18-19H,3,5-7,9-12,17H2,1-2H3;4,7,12-15,17-18H,3,5-6,8-11,16H2,1-2H3;4,6,11-14,16-17H,3,5,7-10,15H2,1-2H3;3,5,10-13,15-16H,4,6-9,14H2,1-2H3;3,5,10-15H,4,6-9H2,1-2H3;3-4,9-14H,5-8H2,1-2H3/b;;;8-4+;7-4+;6-4+;2*5-3+;4-3+
InChIKeyQWLPFNLKGAWGGL-UMFYKWAMSA-N
MW3868.57 g/mol
LogP73.79
Rot. Bonds72

About 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene

1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 160538419) has the molecular formula C231H264F36O9 and a molecular weight of 3868.57 g/mol. Its IUPAC name is 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID160538419
Molecular FormulaC231H264F36O9
Molecular Weight3868.57 g/mol
Exact Mass3865.96
IUPAC Name1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
SMILESC/C=C/C1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C29H36F4O.C28H34F4O.2C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O.C23H24F4O.C22H22F4O/c1-3-5-6-7-8-9-10-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(4-2)12-14-21;1-3-5-6-7-8-9-18-33-24-17-16-23(27(31)28(24)32)22-15-14-21(25(29)26(22)30)20-12-10-19(4-2)11-13-20;1-3-5-6-7-8-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(4-2)10-12-19;1-3-5-6-7-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(8-4-2)10-12-19;1-3-5-6-16-31-22-15-14-21(25(29)26(22)30)20-13-12-19(23(27)24(20)28)18-10-8-17(7-4-2)9-11-18;1-3-5-15-30-21-14-13-20(24(28)25(21)29)19-12-11-18(22(26)23(19)27)17-9-7-16(6-4-2)8-10-17;1-3-5-15-6-8-16(9-7-15)17-10-11-18(22(26)21(17)25)19-12-13-20(29-14-4-2)24(28)23(19)27;1-3-5-14-6-8-15(9-7-14)16-10-11-17(21(25)20(16)24)18-12-13-19(28-4-2)23(27)22(18)26;1-3-4-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-2)22(26)21(17)25/h4,15-18,20-21H,2-3,5-14,19H2,1H3;4,14-17,19-20H,2-3,5-13,18H2,1H3;4,13-16,18-19H,2-3,5-12,17H2,1H3;4,8,13-16,18-19H,3,5-7,9-12,17H2,1-2H3;4,7,12-15,17-18H,3,5-6,8-11,16H2,1-2H3;4,6,11-14,16-17H,3,5,7-10,15H2,1-2H3;3,5,10-13,15-16H,4,6-9,14H2,1-2H3;3,5,10-15H,4,6-9H2,1-2H3;3-4,9-14H,5-8H2,1-2H3/b;;;8-4+;7-4+;6-4+;2*5-3+;4-3+
InChIKeyQWLPFNLKGAWGGL-UMFYKWAMSA-N
XLogP73.79
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds72
Heavy Atoms276
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003868.57
LogP ≤ 573.79
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-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene (CID 160538419) is 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene is C/C=C/C1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)c(F)c2F)CC1.C/C=C/C1CCC(c2ccc(-c3ccc(OCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCC)c(F)c3F)c(F)c2F)CC1.C=CC1CCC(c2ccc(-c3ccc(OCCCCCCCCC)c(F)c3F)c(F)c2F)CC1.
What is the InChIKey of 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is QWLPFNLKGAWGGL-UMFYKWAMSA-N. The full InChI is InChI=1S/C29H36F4O.C28H34F4O.2C27H32F4O.C26H30F4O.C25H28F4O.C24H26F4O.C23H24F4O.C22H22F4O/c1-3-5-6-7-8-9-10-19-34-25-18-17-24(28(32)29(25)33)23-16-15-22(26(30)27(23)31)21-13-11-20(4-2)12-14-21;1-3-5-6-7-8-9-18-33-24-17-16-23(27(31)28(24)32)22-15-14-21(25(29)26(22)30)20-12-10-19(4-2)11-13-20;1-3-5-6-7-8-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(4-2)10-12-19;1-3-5-6-7-17-32-23-16-15-22(26(30)27(23)31)21-14-13-20(24(28)25(21)29)19-11-9-18(8-4-2)10-12-19;1-3-5-6-16-31-22-15-14-21(25(29)26(22)30)20-13-12-19(23(27)24(20)28)18-10-8-17(7-4-2)9-11-18;1-3-5-15-30-21-14-13-20(24(28)25(21)29)19-12-11-18(22(26)23(19)27)17-9-7-16(6-4-2)8-10-17;1-3-5-15-6-8-16(9-7-15)17-10-11-18(22(26)21(17)25)19-12-13-20(29-14-4-2)24(28)23(19)27;1-3-5-14-6-8-15(9-7-14)16-10-11-17(21(25)20(16)24)18-12-13-19(28-4-2)23(27)22(18)26;1-3-4-13-5-7-14(8-6-13)15-9-10-16(20(24)19(15)23)17-11-12-18(27-2)22(26)21(17)25/h4,15-18,20-21H,2-3,5-14,19H2,1H3;4,14-17,19-20H,2-3,5-13,18H2,1H3;4,13-16,18-19H,2-3,5-12,17H2,1H3;4,8,13-16,18-19H,3,5-7,9-12,17H2,1-2H3;4,7,12-15,17-18H,3,5-6,8-11,16H2,1-2H3;4,6,11-14,16-17H,3,5,7-10,15H2,1-2H3;3,5,10-13,15-16H,4,6-9,14H2,1-2H3;3,5,10-15H,4,6-9H2,1-2H3;3-4,9-14H,5-8H2,1-2H3/b;;;8-4+;7-4+;6-4+;2*5-3+;4-3+.
What are the key properties of 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene?
1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 3868.57 g/mol, XLogP of 73.79, 72 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluorobenzene;1-(2,3-difluoro-4-heptoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-(2,3-difluoro-4-nonoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-octoxyphenyl)-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene;1-(2,3-difluoro-4-pentoxyphenyl)-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2,3-difluoro-4-propoxybenzene;1-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 160538419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).