1-fluoro-4-(4-pentylcyclohexyl)benzene

C17H25F — CID 578937

IUPAC1-fluoro-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25F/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3
InChIKeyVCIVJVKSOMDCMN-UHFFFAOYSA-N
MW248.38 g/mol
LogP5.68
Rot. Bonds5

About 1-fluoro-4-(4-pentylcyclohexyl)benzene

1-fluoro-4-(4-pentylcyclohexyl)benzene (PubChem CID 578937) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-fluoro-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-pentylcyclohexyl)benzene
PubChem CID578937
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name1-fluoro-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25F/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3
InChIKeyVCIVJVKSOMDCMN-UHFFFAOYSA-N
XLogP5.68
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 ≤ 55.68
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-fluoro-4-(4-pentylcyclohexyl)benzene (CID 578937) is 1-fluoro-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-(4-pentylcyclohexyl)benzene?
The InChIKey is VCIVJVKSOMDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3.
What are the key properties of 1-fluoro-4-(4-pentylcyclohexyl)benzene?
1-fluoro-4-(4-pentylcyclohexyl)benzene has a molecular weight of 248.38 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 578937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).