1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

C32H35F3 — CID 77470774

IUPAC1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCCCc1ccc(C=CC2CCC(c3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F
InChIInChI=1S/C32H35F3/c1-3-5-6-27-18-13-24(21-30(27)33)8-7-23-11-16-26(17-12-23)29-20-19-28(31(34)32(29)35)25-14-9-22(4-2)10-15-25/h7-10,13-15,18-21,23,26H,3-6,11-12,16-17H2,1-2H3
InChIKeyGRXDTTKNJFUOIH-UHFFFAOYSA-N
MW476.63 g/mol
LogP9.66
Rot. Bonds8

About 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (PubChem CID 77470774) has the molecular formula C32H35F3 and a molecular weight of 476.63 g/mol. Its IUPAC name is 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
PubChem CID77470774
Molecular FormulaC32H35F3
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCCCc1ccc(C=CC2CCC(c3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F
InChIInChI=1S/C32H35F3/c1-3-5-6-27-18-13-24(21-30(27)33)8-7-23-11-16-26(17-12-23)29-20-19-28(31(34)32(29)35)25-14-9-22(4-2)10-15-25/h7-10,13-15,18-21,23,26H,3-6,11-12,16-17H2,1-2H3
InChIKeyGRXDTTKNJFUOIH-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-[2-(3-fluoro-4-propylphenyl)ethenyl]cyclohexyl]-4-pentylbenzene
CID 76658226
1-butyl-4-[4-[2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67738341
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
1-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]phenyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77471005
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-[4-[(E)-2-(4-butoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89430983
1-[4-[2,3-difluoro-4-[4-[(E)-2-[3-fluoro-4-(oxiran-2-yl)phenyl]ethenyl]cyclohexyl]phenyl]phenyl]butan-1-ol
CID 88953460
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 77470278
[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
CID 76658196

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (CID 77470774) is 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is CCCCc1ccc(C=CC2CCC(c3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The InChIKey is GRXDTTKNJFUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3/c1-3-5-6-27-18-13-24(21-30(27)33)8-7-23-11-16-26(17-12-23)29-20-19-28(31(34)32(29)35)25-14-9-22(4-2)10-15-25/h7-10,13-15,18-21,23,26H,3-6,11-12,16-17H2,1-2H3.
What are the key properties of 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene has a molecular weight of 476.63 g/mol, XLogP of 9.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 77470774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).