tetrafluoro-1,3-dioxolan-2-one

• ChemBase ID: 178277
• Molecular Formular: C3F4O3
• Molecular Mass: 160.0239128
• Monoisotopic Mass: 159.97835674
• SMILES: C1(C(OC(=O)O1)(F)F)(F)F
• Canonical SMILES: O=C1OC(C(O1)(F)F)(F)F
• InChI: InChI=1S/C3F4O3/c4-2(5)3(6,7)10-1(8)9-2
• InChIKey: VUZHZBFVQSUQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoro-1,3-dioxolan-2-one
• IUPAC Traditional name: tetrafluoro-1,3-dioxolan-2-one
• Synonyms: 4,4,5,5-Tetrafluoro-1,3-dioxolan-2-one; Tetrafluoroethylene Carbonate; 4,4,5,5-Tetrafluoro-1,3-dioxolan-2-one

Database IDs

• CAS Number: 183301-46-4
• PubChem SID: 164234187
• PubChem CID: 13898159

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.066592
• LogD (pH = 7.4): 2.066592
• Log P: 2.066592
• Molar Refractivity: 18.1976 cm^3
• Polarizability: 7.4025173 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true