3-Phenyl-6-(trifluoromethyl)-1H-indole-2-carbonitrile

• Catalog: OFC62039729
• CAS: 62039-72-9
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 3-phenyl-6-(trifluoromethyl)-1H-indole-2-carbonitrile
• InChI: InChI=1S/C16H9F3N2/c17-16(18,19)11-6-7-12-13(8-11)21-14(9-20)15(12)10-4-2-1-3-5-10/h1-8,21H
• InChI Key: QNPFATMHMDYSKJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(NC3=C2C=CC(=C3)C(F)(F)F)C#N

• Molecular Formula: C16H9F3N2
• Molecular Weight: 286.25

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 286.07178278 g/mol
• Monoisotopic Mass: 286.07178278 g/mol
• Topological Polar Surface Area: 39.6Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 419