2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene

C28H28F2 — CID 59791157

IUPAC2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2F)cc1
InChIInChI=1S/C28H28F2/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(30)27(25)29)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h3,7-8,11-19,21H,1,4-6,9-10H2,2H3
InChIKeyOLSRGPZOBLCSCF-UHFFFAOYSA-N
MW402.53 g/mol
LogP8.32
Rot. Bonds5

About 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene

2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene (PubChem CID 59791157) has the molecular formula C28H28F2 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
PubChem CID59791157
Molecular FormulaC28H28F2
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
SMILESC=CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2F)cc1
InChIInChI=1S/C28H28F2/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(30)27(25)29)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h3,7-8,11-19,21H,1,4-6,9-10H2,2H3
InChIKeyOLSRGPZOBLCSCF-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(3,4,5-trifluorophenyl)ethyl]benzene
CID 118858786
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 88998143
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
CID 147093203
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene (CID 59791157) is 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene is C=CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene?
The InChIKey is OLSRGPZOBLCSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2/c1-3-4-20-7-11-23(12-8-20)25-17-18-26(28(30)27(25)29)24-15-13-22(14-16-24)21-9-5-19(2)6-10-21/h3,7-8,11-19,21H,1,4-6,9-10H2,2H3.
What are the key properties of 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene?
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene has a molecular weight of 402.53 g/mol, XLogP of 8.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene is sourced from PubChem (CID 59791157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).