2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene

C21H22F2 — CID 69094568

IUPAC2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(-c3ccccc3)c(F)c2F)CC1
InChIInChI=1S/C21H22F2/c1-2-6-15-9-11-17(12-10-15)19-14-13-18(20(22)21(19)23)16-7-4-3-5-8-16/h2-5,7-8,13-15,17H,1,6,9-12H2
InChIKeyZBBGDMHTEJUWHN-UHFFFAOYSA-N
MW312.40 g/mol
LogP6.48
Rot. Bonds4

About 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene

2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene (PubChem CID 69094568) has the molecular formula C21H22F2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene
PubChem CID69094568
Molecular FormulaC21H22F2
Molecular Weight312.40 g/mol
Exact Mass312.17
IUPAC Name2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(-c3ccccc3)c(F)c2F)CC1
InChIInChI=1S/C21H22F2/c1-2-6-15-9-11-17(12-10-15)19-14-13-18(20(22)21(19)23)16-7-4-3-5-8-16/h2-5,7-8,13-15,17H,1,6,9-12H2
InChIKeyZBBGDMHTEJUWHN-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene 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

1-phenyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 174875446
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 67738437
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-methyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 173416381
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593478
2-fluoro-4-(4-prop-2-enylcyclohexyl)-3-(3,4,5-trifluorophenyl)benzoic acid
CID 70178301
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67738483
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2,3-difluorobenzene
CID 67738474
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene (CID 69094568) is 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene is C=CCC1CCC(c2ccc(-c3ccccc3)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene?
The InChIKey is ZBBGDMHTEJUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2/c1-2-6-15-9-11-17(12-10-15)19-14-13-18(20(22)21(19)23)16-7-4-3-5-8-16/h2-5,7-8,13-15,17H,1,6,9-12H2.
What are the key properties of 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene?
2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene has a molecular weight of 312.40 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-phenyl-4-(4-prop-2-enylcyclohexyl)benzene is sourced from PubChem (CID 69094568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).