2-chloro-2-fluoroacetyl fluoride

• ChemBase ID: 97241
• Molecular Formular: C2HClF2O
• Molecular Mass: 114.4785464
• Monoisotopic Mass: 113.96839877
• SMILES: FC(=O)C(Cl)F
• Canonical SMILES: FC(=O)C(Cl)F
• InChI: InChI=1S/C2HClF2O/c3-1(4)2(5)6/h1H
• InChIKey: YKNVBFORMKGBOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-fluoroacetyl fluoride
• IUPAC Traditional name: 2-chloro-2-fluoroacetyl fluoride
• Synonyms: Chlorofluoroacetyl fluoride 98%

Database IDs

• CAS Number: 359-34-2
• MDL Number: MFCD01861135
• PubChem SID: 162083852
• PubChem CID: 13451024

CALCULATED PROPERTIES

• Acid pKa: 13.249785
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8704958
• LogD (pH = 7.4): 0.8704952
• Log P: 0.87049586
• Molar Refractivity: 16.9245 cm^3
• Polarizability: 6.4386306 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 46°C

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC4218

Includes non-returnable cylinder and manual controlvalve. Includes non-returnable cylinder and manual control valve