1-[2-(Trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-2-one

• Catalog: OFC321980885
• CAS: 321980-88-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propan-2-one
• MDL Number: MFCD01419489

• IUPAC Name: 1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-one
• InChI: InChI=1S/C11H9F3N2O/c1-7(17)6-16-9-5-3-2-4-8(9)15-10(16)11(12,13)14/h2-5H,6H2,1H3
• InChI Key: KXFCKYZEWABJTC-UHFFFAOYSA-N
• Isomeric SMILES: CC(=O)CN1C2=CC=CC=C2N=C1C(F)(F)F

• Molecular Formula: C11H9F3N2O
• Molecular Weight: 242.20

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.06669740 g/mol
• Monoisotopic Mass: 242.06669740 g/mol
• Topological Polar Surface Area: 34.9Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306