1-(2-fluorophenyl)propan-1-ol

• ChemBase ID: 296780
• Molecular Formular: C9H11FO
• Molecular Mass: 154.1814432
• Monoisotopic Mass: 154.07939319
• SMILES: CCC(c1ccccc1F)O
• Canonical SMILES: CCC(c1ccccc1F)O
• InChI: InChI=1S/C9H11FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9,11H,2H2,1H3
• InChIKey: MCENMZBHIHBHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)propan-1-ol
• IUPAC Traditional name: 1-(2-fluorophenyl)propan-1-ol
• Synonyms: 1-(2-Fluorophenyl)propanol; 1-(2-氟苯基)丙醇

Database IDs

• CAS Number: 156022-15-0
• MDL Number: MFCD08062368
• PubChem SID: 180682311
• PubChem CID: 21994116

CALCULATED PROPERTIES

• Acid pKa: 14.127739
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2876954
• LogD (pH = 7.4): 2.2876954
• Log P: 2.2876954
• Molar Refractivity: 42.0331 cm^3
• Polarizability: 16.122814 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%