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

• Catalog: OFC100554312
• CAS: 100554-31-2
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2,2-Bis(4-trifluoromethylphenyl)-3-methyloxirane
• MDL Number: MFCD31561232

• IUPAC Name: 3-methyl-2,2-bis[4-(trifluoromethyl)phenyl]oxirane
• InChI: InChI=1S/C17H12F6O/c1-10-15(24-10,11-2-6-13(7-3-11)16(18,19)20)12-4-8-14(9-5-12)17(21,22)23/h2-10H,1H3
• InChI Key: DOLHBKIUZSCJLD-UHFFFAOYSA-N
• Isomeric SMILES: CC1C(O1)(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

• Molecular Formula: C17H12F6O
• Molecular Weight: 346.27

• XLogP3-AA: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 346.07923397 g/mol
• Monoisotopic Mass: 346.07923397 g/mol
• Topological Polar Surface Area: 12.5Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 407