1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene

C23H29F — CID 22123952

IUPAC1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C23H29F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-13,22-23H,2-5,14-17H2,1H3
InChIKeySBEPVWWGRFLTIW-UHFFFAOYSA-N
MW324.48 g/mol
LogP7.08
Rot. Bonds6

About 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene

1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene (PubChem CID 22123952) has the molecular formula C23H29F and a molecular weight of 324.48 g/mol. Its IUPAC name is 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
PubChem CID22123952
Molecular FormulaC23H29F
Molecular Weight324.48 g/mol
Exact Mass324.23
IUPAC Name1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C23H29F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-13,22-23H,2-5,14-17H2,1H3
InChIKeySBEPVWWGRFLTIW-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)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-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 19979856
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene (CID 22123952) is 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(C3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene?
The InChIKey is SBEPVWWGRFLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22/h6-13,22-23H,2-5,14-17H2,1H3.
What are the key properties of 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene?
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene has a molecular weight of 324.48 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 22123952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).