2-fluoroacetyl chloride

• ChemBase ID: 127452
• Molecular Formular: C2H2ClFO
• Molecular Mass: 96.4880832
• Monoisotopic Mass: 95.97782058
• SMILES: FCC(=O)Cl
• Canonical SMILES: FCC(=O)Cl
• InChI: InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2
• InChIKey: ZBHDTYQJAQDBIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroacetyl chloride
• IUPAC Systematic name: Fluoroethanoyl chloride
• IUPAC Traditional name: fluoroacetyl chloride
• Synonyms: Fluoroacetyl chloride

Database IDs

• CAS Number: 359-06-8
• PubChem SID: 162221773
• PubChem CID: 9663
• Chemspider ID: 9282
• Wikipedia Title: Fluoroacetyl_chloride

CALCULATED PROPERTIES

• Acid pKa: 16.392454
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.38382766
• LogD (pH = 7.4): 0.38382766
• Log P: 0.38382766
• Molar Refractivity: 16.5123 cm^3
• Polarizability: 6.4039845 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-71 °C at 755 mmHg

Safety Information

• Safety Statements: R
• NFPA704:
  

  1

  4

  2