trifluoroacetyl fluoride

• ChemBase ID: 7760
• Molecular Formular: C2F4O
• Molecular Mass: 116.0144128
• Monoisotopic Mass: 115.9885275
• SMILES: O=C(C(F)(F)F)F
• Canonical SMILES: FC(=O)C(F)(F)F
• InChI: InChI=1S/C2F4O/c3-1(7)2(4,5)6
• InChIKey: DCEPGADSNJKOJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetyl fluoride
• IUPAC Traditional name: trifluoroacetyl fluoride
• Synonyms: Trifluoroacetyl fluoride 95%; Trifluoroacetyl fluoride

Database IDs

• CAS Number: 354-34-7
• MDL Number: MFCD00042075
• PubChem SID: 160971067
• PubChem CID: 67716

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1547233
• LogD (pH = 7.4): 1.1547233
• Log P: 1.1547233
• Molar Refractivity: 12.877399 cm^3
• Polarizability: 4.7410917 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -59°C

Safety Information

• Storage Warning: Corrosive; GAS, TOXIC BY INHALATION, CORROSIVE
• TSCA Listed: true

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05225735

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC7230

Cylinder - CGA 110 connection