4,4-Bis(trifluoromethyl)oxetan-2-one

• Catalog: OFC1718338
• CAS: 1718-33-8
• Category: Fluorinated Lactones
• Synonyms: 2-Oxetanone, 4,4-bis(trifluoromethyl)-
• MDL Number: MFCD01709493

• IUPAC Name: 4,4-bis(trifluoromethyl)oxetan-2-one
• InChI: InChI=1S/C5H2F6O2/c6-4(7,8)3(5(9,10)11)1-2(12)13-3/h1H2
• InChI Key: ACSBMCAYILYABW-UHFFFAOYSA-N
• Isomeric SMILES: C1C(=O)OC1(C(F)(F)F)C(F)(F)F

• Molecular Formula: C5H2F6O2
• Molecular Weight: 208.06
• Boiling Point: 94.5-95 °C (775 mmHg)
• Density: 1.6561 g/cm3
• Refractive Index: 1.324

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 207.99589827 g/mol
• Monoisotopic Mass: 207.99589827 g/mol
• Topological Polar Surface Area: 26.3Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224