cyclopentyl(2-fluorophenyl)methanone

• ChemBase ID: 238746
• Molecular Formular: C12H13FO
• Molecular Mass: 192.2294232
• Monoisotopic Mass: 192.09504326
• SMILES: c1(C(=O)C2CCCC2)c(F)cccc1
• Canonical SMILES: O=C(c1ccccc1F)C1CCCC1
• InChI: InChI=1S/C12H13FO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
• InChIKey: SAVZOQLBNNRMNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(2-fluorophenyl)methanone
• IUPAC Traditional name: cyclopentyl(2-fluorophenyl)methanone
• Synonyms: cyclopentyl(2-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD03841320
• PubChem SID: 164294656
• PubChem CID: 13771614

CALCULATED PROPERTIES

• Acid pKa: 17.314087
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3425288
• LogD (pH = 7.4): 3.3425288
• Log P: 3.3425288
• Molar Refractivity: 53.2784 cm^3
• Polarizability: 20.354757 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.822

Product Information

• Purity: 95%