1-fluoro-2-(5-phenylpentyl)benzene

C17H19F — CID 90957769

IUPAC1-fluoro-2-(5-phenylpentyl)benzene
SMILESFc1ccccc1CCCCCc1ccccc1
InChIInChI=1S/C17H19F/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyPYFRZCOADHLUSL-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.78
Rot. Bonds6

About 1-fluoro-2-(5-phenylpentyl)benzene

1-fluoro-2-(5-phenylpentyl)benzene (PubChem CID 90957769) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-fluoro-2-(5-phenylpentyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(5-phenylpentyl)benzene
PubChem CID90957769
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-fluoro-2-(5-phenylpentyl)benzene
SMILESFc1ccccc1CCCCCc1ccccc1
InChIInChI=1S/C17H19F/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyPYFRZCOADHLUSL-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.78
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-2-(5-phenylpentyl)benzene?
The IUPAC name of 1-fluoro-2-(5-phenylpentyl)benzene (CID 90957769) is 1-fluoro-2-(5-phenylpentyl)benzene.
What is the SMILES notation for 1-fluoro-2-(5-phenylpentyl)benzene?
The canonical SMILES for 1-fluoro-2-(5-phenylpentyl)benzene is Fc1ccccc1CCCCCc1ccccc1.
What is the InChIKey of 1-fluoro-2-(5-phenylpentyl)benzene?
The InChIKey is PYFRZCOADHLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2.
What are the key properties of 1-fluoro-2-(5-phenylpentyl)benzene?
1-fluoro-2-(5-phenylpentyl)benzene has a molecular weight of 242.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(5-phenylpentyl)benzene is sourced from PubChem (CID 90957769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).