2-chloro-2,2-difluoroacetyl fluoride

• ChemBase ID: 94915
• Molecular Formular: C2ClF3O
• Molecular Mass: 132.4690096
• Monoisotopic Mass: 131.95897696
• SMILES: FC(F)(C(=O)F)Cl
• Canonical SMILES: FC(=O)C(Cl)(F)F
• InChI: InChI=1S/C2ClF3O/c3-2(5,6)1(4)7
• InChIKey: GLIRIYXDZMHXGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2,2-difluoroacetyl fluoride
• IUPAC Traditional name: 2-chloro-2,2-difluoroacetyl fluoride
• Synonyms: Chlorodifluoroacetyl fluoride 99%

Database IDs

• CAS Number: 354-27-8
• MDL Number: MFCD00153743
• PubChem SID: 162081569
• PubChem CID: 67714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3614099
• LogD (pH = 7.4): 1.3614099
• Log P: 1.3614099
• Molar Refractivity: 17.7122 cm^3
• Polarizability: 6.55245 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -20°C

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC2565

Price includes non-returnable cylinder and manual control valve. Cylinder