3,3,4,4-tetrafluorooxolane

• ChemBase ID: 8078
• Molecular Formular: C4H4F4O
• Molecular Mass: 144.0675728
• Monoisotopic Mass: 144.01982763
• SMILES: C1(C(COC1)(F)F)(F)F
• Canonical SMILES: FC1(F)COCC1(F)F
• InChI: InChI=1S/C4H4F4O/c5-3(6)1-9-2-4(3,7)8/h1-2H2
• InChIKey: HCVCNRFVUUDZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4-tetrafluorooxolane
• IUPAC Traditional name: 3,3,4,4-tetrafluorooxolane
• Synonyms: 3,3,4,4-Tetrafluorotetrahydrofuran; 1-Oxa-3,3,4,4-tetrafluorocyclopentane; 3,3,4,4-Tetrafluorooxolane; 3,3,4,4-Tetrafluorotetrahydrofuran 97%

Database IDs

• CAS Number: 374-33-4
• MDL Number: MFCD02093328
• PubChem SID: 160971385
• PubChem CID: 2782427

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3543099
• LogD (pH = 7.4): 1.3543099
• Log P: 1.3543099
• Molar Refractivity: 20.3795 cm^3
• Polarizability: 7.8910666 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82°C

Safety Information

• Storage Warning: FLAMMABLE; Flammable
• TSCA Listed: false

Product Information

• Purity: 98%