2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene

C34H49F — CID 3093740

IUPAC2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C34H49F/c1-3-5-7-9-26-11-15-28(16-12-26)29-19-21-31(22-20-29)33-24-23-32(25-34(33)35)30-17-13-27(14-18-30)10-8-6-4-2/h19-28,30H,3-18H2,1-2H3
InChIKeyTYXZVPMEKLRAGX-UHFFFAOYSA-N
MW476.76 g/mol
LogP11.20
Rot. Bonds11

About 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene

2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 3093740) has the molecular formula C34H49F and a molecular weight of 476.76 g/mol. Its IUPAC name is 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID3093740
Molecular FormulaC34H49F
Molecular Weight476.76 g/mol
Exact Mass476.38
IUPAC Name2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C34H49F/c1-3-5-7-9-26-11-15-28(16-12-26)29-19-21-31(22-20-29)33-24-23-32(25-34(33)35)30-17-13-27(14-18-30)10-8-6-4-2/h19-28,30H,3-18H2,1-2H3
InChIKeyTYXZVPMEKLRAGX-UHFFFAOYSA-N
XLogP11.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]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

1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
CID 19609431
CID 19609431
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155655000
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684
CID 19080569
CID 19080569
CID 19609422
CID 19609422

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 3093740) is 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is TYXZVPMEKLRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49F/c1-3-5-7-9-26-11-15-28(16-12-26)29-19-21-31(22-20-29)33-24-23-32(25-34(33)35)30-17-13-27(14-18-30)10-8-6-4-2/h19-28,30H,3-18H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene?
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 476.76 g/mol, XLogP of 11.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 3093740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).