2-Methyl-n-[3-(trifluoromethyl)phenyl]oxirane-2-carboxamide

• Catalog: OFC338424387
• CAS: 338424-38-7
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide
• Purity: 97%
• MDL Number: MFCD00232083

• IUPAC Name: 2-methyl-N-[3-(trifluoromethyl)phenyl]oxirane-2-carboxamide
• InChI: InChI=1S/C11H10F3NO2/c1-10(6-17-10)9(16)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
• InChI Key: KBAIZDIRTZZBAQ-UHFFFAOYSA-N
• Isomeric SMILES: CC1(CO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

• Molecular Formula: C11H10F3NO2
• Molecular Weight: 245.20
• Melting Point: 62-66 °C

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 245.06636305 g/mol
• Monoisotopic Mass: 245.06636305 g/mol
• Topological Polar Surface Area: 41.6Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 318