2,2,3,3-tetrafluoropropanoyl 2,2,3,3-tetrafluoropropanoate

• ChemBase ID: 100425
• Molecular Formular: C6H2F8O3
• Molecular Mass: 274.0655056
• Monoisotopic Mass: 273.98761968
• SMILES: FC(C(=O)OC(=O)C(C(F)F)(F)F)(C(F)F)F
• Canonical SMILES: FC(C(C(=O)OC(=O)C(C(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6H2F8O3/c7-1(8)5(11,12)3(15)17-4(16)6(13,14)2(9)10/h1-2H
• InChIKey: LBGWXMJBOPPNMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropanoyl 2,2,3,3-tetrafluoropropanoate
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropanoyl 2,2,3,3-tetrafluoropropanoate
• Synonyms: 2,2,3,3-Tetrafluoropropanoic anhydride; 2,2,3,3-Tetrafluoropropionic anhydride; 3H-Perfluoropropanoic anhydride

Database IDs

• CAS Number: 337-83-7
• PubChem SID: 162086306
• PubChem CID: 12643052

CALCULATED PROPERTIES

• Acid pKa: 19.198805
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3759024
• LogD (pH = 7.4): 2.3759024
• Log P: 2.3759024
• Molar Refractivity: 31.659 cm^3
• Polarizability: 12.88319 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Stench/Store under Argon