1-fluoropropan-2-ol

• ChemBase ID: 99528
• Molecular Formular: C3H7FO
• Molecular Mass: 78.0854832
• Monoisotopic Mass: 78.04809306
• SMILES: OC(C)CF
• Canonical SMILES: CC(CF)O
• InChI: InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3
• InChIKey: WPUWNCWLDZMYSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoropropan-2-ol
• IUPAC Traditional name: propanol, fluoro-
• Synonyms: 1-Fluoropropan-2-ol 97%

Database IDs

• CAS Number: 430-50-2
• MDL Number: MFCD00039620
• PubChem SID: 162085791
• PubChem CID: 101671

CALCULATED PROPERTIES

• Acid pKa: 14.523906
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.09898772
• LogD (pH = 7.4): 0.09898768
• Log P: 0.09898772
• Molar Refractivity: 17.2803 cm^3
• Polarizability: 6.682192 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107-108°C
• Density: 1.021
• Refractive Index: 1.3822

Safety Information

• Storage Warning: Flammable