4-cyclohexyl-2-fluoro-1-pentylbenzene

C17H25F — CID 59931429

IUPAC4-cyclohexyl-2-fluoro-1-pentylbenzene
SMILESCCCCCc1ccc(C2CCCCC2)cc1F
InChIInChI=1S/C17H25F/c1-2-3-5-10-15-11-12-16(13-17(15)18)14-8-6-4-7-9-14/h11-14H,2-10H2,1H3
InChIKeyWOBGVDJCJIQEGZ-UHFFFAOYSA-N
MW248.38 g/mol
LogP5.61
Rot. Bonds5

About 4-cyclohexyl-2-fluoro-1-pentylbenzene

4-cyclohexyl-2-fluoro-1-pentylbenzene (PubChem CID 59931429) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 4-cyclohexyl-2-fluoro-1-pentylbenzene.

Molecular Properties

Compound Name4-cyclohexyl-2-fluoro-1-pentylbenzene
PubChem CID59931429
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name4-cyclohexyl-2-fluoro-1-pentylbenzene
SMILESCCCCCc1ccc(C2CCCCC2)cc1F
InChIInChI=1S/C17H25F/c1-2-3-5-10-15-11-12-16(13-17(15)18)14-8-6-4-7-9-14/h11-14H,2-10H2,1H3
InChIKeyWOBGVDJCJIQEGZ-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2,4-difluoro-1-pentylbenzene
CID 20770613
2-chloro-1,3-difluoro-5-[2-[2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54379850
4-[2-[4-(4-but-2-ynylcyclohexyl)phenyl]ethynyl]-2-fluoro-1-pentylbenzene
CID 18939963
4-(1,7-dimethoxyheptan-4-yl)-2-fluoro-1-[4-[4-(3-fluoro-4-pentylphenyl)cyclohexyl]cyclohexyl]benzene
CID 145411451
4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluoro-1-hexylbenzene
CID 19984644
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-octylbenzene
CID 143772763
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-fluoro-1-pentylbenzene?
The IUPAC name of 4-cyclohexyl-2-fluoro-1-pentylbenzene (CID 59931429) is 4-cyclohexyl-2-fluoro-1-pentylbenzene.
What is the SMILES notation for 4-cyclohexyl-2-fluoro-1-pentylbenzene?
The canonical SMILES for 4-cyclohexyl-2-fluoro-1-pentylbenzene is CCCCCc1ccc(C2CCCCC2)cc1F.
What is the InChIKey of 4-cyclohexyl-2-fluoro-1-pentylbenzene?
The InChIKey is WOBGVDJCJIQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-2-3-5-10-15-11-12-16(13-17(15)18)14-8-6-4-7-9-14/h11-14H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-2-fluoro-1-pentylbenzene?
4-cyclohexyl-2-fluoro-1-pentylbenzene has a molecular weight of 248.38 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-fluoro-1-pentylbenzene is sourced from PubChem (CID 59931429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).