3-(Trifluoroacetyl)indole

• Catalog: OFC14618452
• CAS: 14618-45-2
• Category: Fluorinated Indoles
• Synonyms: 3-trifluoroacetyl-1H-indole
• Purity: >98.0%(GC)
• MDL Number: MFCD00182114

• IUPAC Name: 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
• InChI: InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H
• InChI Key: LCMDCXWSHDFQKP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F
• EC Number: 623-891-3

• Molecular Formula: C10H6F3NO
• Molecular Weight: 213.16
• Melting Point: 211.0-216.0 °C
• Appearance: White to almost white powder to crystal

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 213.04014830 g/mol
• Monoisotopic Mass: 213.04014830 g/mol
• Topological Polar Surface Area: 32.9Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 264

• HS Number: 2933.99.8290