2-chloroacetyl fluoride

• ChemBase ID: 94893
• Molecular Formular: C2H2ClFO
• Molecular Mass: 96.4880832
• Monoisotopic Mass: 95.97782058
• SMILES: FC(=O)CCl
• Canonical SMILES: FC(=O)CCl
• InChI: InChI=1S/C2H2ClFO/c3-1-2(4)5/h1H2
• InChIKey: GKUAOYZMFRWOOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroacetyl fluoride
• IUPAC Traditional name: 2-chloroacetyl fluoride
• Synonyms: Chloroacetyl fluoride 98%

Database IDs

• CAS Number: 359-14-8
• MDL Number: MFCD01861133
• PubChem SID: 162081547
• PubChem CID: 5325485

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.5597385
• Log P: 0.5597385
• Molar Refractivity: 16.6204 cm^3
• Polarizability: 6.3851705 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.610268
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5597385

PROPERTIES

Physical Property

• Boiling Point: 75°C

Safety Information

• Storage Warning: Corrosive