4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

• ChemBase ID: 97100
• Molecular Formular: C6F8O4
• Molecular Mass: 288.0490256
• Monoisotopic Mass: 287.96688424
• SMILES: O1C(=O)C(OC1(C(=O)F)C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: FC(=O)C1(OC(=O)C(O1)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11
• InChIKey: NVLMRLQANVCTOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
• IUPAC Traditional name: 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
• Synonyms: Perfluoro[2,5-dimethyl-2-fluorocarbonyl-4-oxo-1,3-dioxolane]; 2,4-Bis(trifluoromethyl)-4-fluoro-5-oxo-1,3-dioxolane-2-carbonyl fluoride

Database IDs

• MDL Number: MFCD07784273
• PubChem SID: 162083722
• PubChem CID: 110969

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0101738
• LogD (pH = 7.4): 3.0101738
• Log P: 3.0101738
• Molar Refractivity: 33.0077 cm^3
• Polarizability: 13.150002 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive