2-chloro-2,3,3,3-tetrafluoropropanoyl fluoride

• ChemBase ID: 97538
• Molecular Formular: C3ClF5O
• Molecular Mass: 182.476516
• Monoisotopic Mass: 181.9557834
• SMILES: FC(F)(F)C(F)(Cl)C(=O)F
• Canonical SMILES: FC(=O)C(C(F)(F)F)(Cl)F
• InChI: InChI=1S/C3ClF5O/c4-2(6,1(5)10)3(7,8)9
• InChIKey: UGXRFLXVVYNTTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2,3,3,3-tetrafluoropropanoyl fluoride
• IUPAC Traditional name: 2-chloro-2,3,3,3-tetrafluoropropanoyl fluoride
• Synonyms: 2-Chlorotetrafluoropropanoyl fluoride

Database IDs

• CAS Number: 28627-00-1
• MDL Number: MFCD00155718
• PubChem SID: 162084145
• PubChem CID: 2782501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2887933
• LogD (pH = 7.4): 2.2887933
• Log P: 2.2887933
• Molar Refractivity: 22.4639 cm^3
• Polarizability: 8.443275 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 15-17°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive