6-(Trifluoromethyl)-1H-indole-5-carbonitrile

• Catalog: OFC1186404614
• CAS: 1186404-61-4
• Category: Fluorinated Indoles
• MDL Number: MFCD12827791

• IUPAC Name: 6-(trifluoromethyl)-1H-indole-5-carbonitrile
• InChI: InChI=1S/C10H5F3N2/c11-10(12,13)8-4-9-6(1-2-15-9)3-7(8)5-14/h1-4,15H
• InChI Key: YMIVDGGJBSXDRI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CNC2=CC(=C(C=C21)C#N)C(F)(F)F

• Molecular Formula: C10H5F3N2
• Molecular Weight: 210.16
• Melting Point: 176 °C

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 210.04048265 g/mol
• Monoisotopic Mass: 210.04048265 g/mol
• Topological Polar Surface Area: 39.6Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 291