2-fluoroprop-2-enoyl chloride

• ChemBase ID: 93822
• Molecular Formular: C3H2ClFO
• Molecular Mass: 108.4987832
• Monoisotopic Mass: 107.97782058
• SMILES: FC(=C)C(=O)Cl
• Canonical SMILES: FC(=C)C(=O)Cl
• InChI: InChI=1S/C3H2ClFO/c1-2(5)3(4)6/h1H2
• InChIKey: JBKRPXAZWRLPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroprop-2-enoyl chloride
• IUPAC Traditional name: 2-fluoroprop-2-enoyl chloride
• Synonyms: 2-Fluoropropenoyl chloride; 2-Fluoroacryloyl chloride

Database IDs

• CAS Number: 16522-55-7
• MDL Number: MFCD06247510
• PubChem SID: 162080487
• PubChem CID: 2783335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.99388653
• LogD (pH = 7.4): 0.99388653
• Log P: 0.99388653
• Molar Refractivity: 21.3528 cm^3
• Polarizability: 7.9104757 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Keep Cold