1,1,1-Trifluoro-4-(1H-indol-3-yl)but-3-en-2-one

• Catalog: OFC401607521
• CAS: 401607-52-1
• Category: Fluorinated Indoles
• Synonyms: (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
• MDL Number: MFCD09998115

• IUPAC Name: (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
• InChI: InChI=1S/C12H8F3NO/c13-12(14,15)11(17)6-5-8-7-16-10-4-2-1-3-9(8)10/h1-7,16H/b6-5+
• InChI Key: NVKOBNNCHGLNGA-AATRIKPKSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)C(F)(F)F
• EC Number: 630-861-3

• Molecular Formula: C12H8F3NO
• Molecular Weight: 239.19
• Melting Point: 160-162 °C

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.05579836 g/mol
• Monoisotopic Mass: 239.05579836 g/mol
• Topological Polar Surface Area: 32.9Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 324