1-Methyl-3-(trifluoroacetyl)-1H-indole

• Catalog: OFC318547
• CAS: 318-54-7
• Category: Fluorinated Indoles
• Synonyms: 2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-one
• MDL Number: MFCD02571216

• IUPAC Name: 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone
• InChI: InChI=1S/C11H8F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6H,1H3
• InChI Key: ICMIXFPYWFUAAL-UHFFFAOYSA-N
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F

• Molecular Formula: 2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-one
• Molecular Weight: 227.18
• Melting Point: 102-104 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 227.05579836 g/mol
• Monoisotopic Mass: 227.05579836 g/mol
• Topological Polar Surface Area: 22Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 289