2-(4-fluorophenyl)cyclopentan-1-ol

• ChemBase ID: 274895
• Molecular Formular: C11H13FO
• Molecular Mass: 180.2187232
• Monoisotopic Mass: 180.09504326
• SMILES: C1(c2ccc(cc2)F)C(O)CCC1
• Canonical SMILES: OC1CCCC1c1ccc(cc1)F
• InChI: InChI=1S/C11H13FO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11,13H,1-3H2
• InChIKey: HLSQYAFIFDWGKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)cyclopentan-1-ol
• IUPAC Traditional name: 2-(4-fluorophenyl)cyclopentan-1-ol
• Synonyms: 2-(4-fluorophenyl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD16818417
• PubChem SID: 164330805
• PubChem CID: 53621879

CALCULATED PROPERTIES

• Acid pKa: 14.849812
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4776034
• LogD (pH = 7.4): 2.4776034
• Log P: 2.4776034
• Molar Refractivity: 49.4575 cm^3
• Polarizability: 19.002367 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.409

Product Information

• Purity: 95%