pentafluoropropanoyl fluoride

• ChemBase ID: 9706
• Molecular Formular: C3F6O
• Molecular Mass: 166.0219192
• Monoisotopic Mass: 165.98533394
• SMILES: C(C(C(=O)F)(F)F)(F)(F)F
• Canonical SMILES: FC(=O)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C3F6O/c4-1(10)2(5,6)3(7,8)9
• InChIKey: YLCLKCNTDGWDMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluoropropanoyl fluoride
• IUPAC Traditional name: pentafluoropropanoyl fluoride
• Synonyms: Pentafluoropropionyl fluoride

Database IDs

• CAS Number: 422-61-7
• MDL Number: MFCD00042078
• PubChem SID: 160973013
• PubChem CID: 67912

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.855366
• LogD (pH = 7.4): 1.855366
• Log P: 1.855366
• Molar Refractivity: 17.5454 cm^3
• Polarizability: 6.6580386 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -27°C

Safety Information

• Storage Warning: GAS, TOXIC BY INHALATION, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%