3-(Trifluoromethyl)-1,2-propenoxide

• Catalog: OFC407125
• CAS: 407-12-5
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2-(2,2,2-Trifluoroethyl)oxirane; 3,4-Epoxy-1,1,1-trifluorobutane, 1,2-Epoxy-3-(trifluoromethyl)propane
• MDL Number: MFCD00156048

• IUPAC Name: 2-(2,2,2-trifluoroethyl)oxirane
• InChI: InChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
• InChI Key: KSAGWVJHDZAMEZ-UHFFFAOYSA-N
• Isomeric SMILES: C1C(O1)CC(F)(F)F
• EC Number: 680-131-3

• Molecular Formula: C4H5F3O
• Molecular Weight: 126.08
• Boiling Point: 82 °C
• Density: 1.2487 g/cm3

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 126.02924926 g/mol
• Monoisotopic Mass: 126.02924926 g/mol
• Topological Polar Surface Area: 12.5Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 87.8