2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl fluoride

• ChemBase ID: 100892
• Molecular Formular: C4F8O2
• Molecular Mass: 232.0288256
• Monoisotopic Mass: 231.977055
• SMILES: O(C(C(C(=O)F)(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC(=O)C(C(OC(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4F8O2/c5-1(13)2(6,7)3(8,9)14-4(10,11)12
• InChIKey: ZAKJNULOUJTZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl fluoride
• IUPAC Traditional name: 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl fluoride
• Synonyms: Perfluoromethoxypropionoyl fluoride 98%

Database IDs

• CAS Number: 425-38-7
• MDL Number: MFCD01695364
• PubChem SID: 162087489
• PubChem CID: 120237

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2902157
• LogD (pH = 7.4): 3.2902157
• Log P: 3.2902157
• Molar Refractivity: 20.311 cm^3
• Polarizability: 9.405076 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive