cyclopropyl(4-fluorophenyl)methanol

• ChemBase ID: 96768
• Molecular Formular: C10H11FO
• Molecular Mass: 166.1921432
• Monoisotopic Mass: 166.07939319
• SMILES: OC(C1CC1)c1ccc(cc1)F
• Canonical SMILES: OC(c1ccc(cc1)F)C1CC1
• InChI: InChI=1S/C10H11FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
• InChIKey: MJODBWDKPXYVMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-fluorophenyl)methanol
• IUPAC Traditional name: cyclopropyl(4-fluorophenyl)methanol
• Synonyms: cyclopropyl(4-fluorophenyl)methanol

Database IDs

• CAS Number: 827-88-3
• MDL Number: MFCD00013730
• PubChem SID: 162083417
• PubChem CID: 102498

CALCULATED PROPERTIES

• Acid pKa: 14.190159
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1889424
• LogD (pH = 7.4): 2.1889422
• Log P: 2.1889424
• Molar Refractivity: 44.7025 cm^3
• Polarizability: 17.238453 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%