3,3,3-Trifluoro-2-(trifluoromethyl)-1,2-propenoxide

• Catalog: OFC31898687
• CAS: 31898-68-7
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2,2-Bis(trifluoromethyl)oxirane; 2,3-Epoxy-1,1,1-trifluoro-2-(trifluoromethyl)propane
• Purity: 97%
• MDL Number: MFCD07784232

• IUPAC Name: 2,2-bis(trifluoromethyl)oxirane
• InChI: InChI=1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
• InChI Key: NYZSKEULTVZUAW-UHFFFAOYSA-N
• Isomeric SMILES: C1C(O1)(C(F)(F)F)C(F)(F)F
• EC Number: 803-996-2

• Molecular Formula: C4H2F6O
• Molecular Weight: 180.05
• Boiling Point: 41-42 °C
• Density: 1.493 g/cm3

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 180.00098366 g/mol
• Monoisotopic Mass: 180.00098366 g/mol
• Topological Polar Surface Area: 12.5Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152