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

• ChemBase ID: 97537
• Molecular Formular: C3ClF5O
• Molecular Mass: 182.476516
• Monoisotopic Mass: 181.9557834
• SMILES: ClC(F)(F)C(F)(F)C(=O)F
• Canonical SMILES: FC(=O)C(C(Cl)(F)F)(F)F
• InChI: InChI=1S/C3ClF5O/c4-3(8,9)2(6,7)1(5)10
• InChIKey: LEUNDTZNUNGZFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5930-66-5
• MDL Number: MFCD03424470
• PubChem SID: 162084144
• PubChem CID: 2782500

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0620527
• LogD (pH = 7.4): 2.0620527
• Log P: 2.0620527
• Molar Refractivity: 22.3802 cm^3
• Polarizability: 8.445672 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 21-23°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive