2-[3,5-Bis(trifluoromethyl)phenyl]oxirane

• Catalog: OFC109086182
• CAS: 109086-18-2
• Category: Fluorinated Cyclic Ethers
• Synonyms: 3,5-bis(Trifluoromethyl)styrene Oxide
• MDL Number: MFCD16503160

• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]oxirane
• InChI: InChI=1S/C10H6F6O/c11-9(12,13)6-1-5(8-4-17-8)2-7(3-6)10(14,15)16/h1-3,8H,4H2
• InChI Key: PWWXYDYIZYOBEG-UHFFFAOYSA-N
• Isomeric SMILES: C1C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

• Molecular Formula: C10H6F6O
• Molecular Weight: 256.14

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 256.03228378 g/mol
• Monoisotopic Mass: 256.03228378 g/mol
• Topological Polar Surface Area: 12.5Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 262