2-Methyl-1-phenyl-5-(trifluoromethyl)-1H-indole-3-carbonitrile

• Catalog: OFC922184609
• CAS: 922184-60-9
• Category: Fluorinated Indoles
• Synonyms: 1-Phenyl-2-methyl-5-(trifluoromethyl)-1H-indole-3-carbonitrile
• Purity: 97%

• IUPAC Name: 2-methyl-1-phenyl-5-(trifluoromethyl)indole-3-carbonitrile
• InChI: InChI=1S/C17H11F3N2/c1-11-15(10-21)14-9-12(17(18,19)20)7-8-16(14)22(11)13-5-3-2-4-6-13/h2-9H,1H3
• InChI Key: MLAGQFRRQBUVFN-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)C(F)(F)F)C#N

• Molecular Formula: C17H11F3N2
• Molecular Weight: 300.28

• XLogP3-AA: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 300.08743285 g/mol
• Monoisotopic Mass: 300.08743285 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 447