3-Methyl-2,2-bis(4-(trifluoromethoxy)phenyl)oxirane

• Catalog: OFC2231674192
• CAS: 2231674-19-2
• Category: Fluorinated Cyclic Ethers
• MDL Number: MFCD31561222

• IUPAC Name: 3-methyl-2,2-bis[4-(trifluoromethoxy)phenyl]oxirane
• InChI: InChI=1S/C17H12F6O3/c1-10-15(24-10,11-2-6-13(7-3-11)25-16(18,19)20)12-4-8-14(9-5-12)26-17(21,22)23/h2-10H,1H3
• InChI Key: FAMDUVMZLWIKME-UHFFFAOYSA-N
• Isomeric SMILES: CC1C(O1)(C2=CC=C(C=C2)OC(F)(F)F)C3=CC=C(C=C3)OC(F)(F)F

• Molecular Formula: C17H12F6O3
• Molecular Weight: 378.27

• XLogP3-AA: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 378.06906321 g/mol
• Monoisotopic Mass: 378.06906321 g/mol
• Topological Polar Surface Area: 31Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 440