2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxamide

• Catalog: OFC278610370
• CAS: 278610-37-0
• Category: Fluorinated Cyclic Ethers
• MDL Number: MFCD00099709

• IUPAC Name: 2-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxamide
• InChI: InChI=1S/C15H11F3N2O2/c16-15(17,18)10-6-4-9(5-7-10)12-14(22-12,13(19)21)11-3-1-2-8-20-11/h1-8,12H,(H2,19,21)
• InChI Key: JJCOKAXGWVWSDZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2(C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N

• Molecular Formula: C15H11F3N2O2
• Molecular Weight: 308.26

• XLogP3-AA: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 308.07726208 g/mol
• Monoisotopic Mass: 308.07726208 g/mol
• Topological Polar Surface Area: 68.5Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 435