2-fluoropropan-1-ol

• ChemBase ID: 93648
• Molecular Formular: C3H7FO
• Molecular Mass: 78.0854832
• Monoisotopic Mass: 78.04809306
• SMILES: OCC(C)F
• Canonical SMILES: CC(CO)F
• InChI: InChI=1S/C3H7FO/c1-3(4)2-5/h3,5H,2H2,1H3
• InChIKey: WKXZJCKWUCBECD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropropan-1-ol
• IUPAC Traditional name: 2-fluoropropan-1-ol
• Synonyms: 2-Fluoro-1-hydroxypropane; 2-Fluoropropan-1-ol

Database IDs

• CAS Number: 3824-87-1
• MDL Number: MFCD07777178
• PubChem SID: 162080333
• PubChem CID: 13278457

CALCULATED PROPERTIES

• Acid pKa: 14.335307
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.09898772
• LogD (pH = 7.4): 0.09898767
• Log P: 0.09898772
• Molar Refractivity: 17.2803 cm^3
• Polarizability: 6.682442 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115°C

Safety Information

• Storage Warning: Flammable/Harmful/Irritant