2-Methyl-3-phenyl-6-(trifluoromethyl)-1H-indole

• Catalog: OFC865173484
• CAS: 865173-48-4
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 2-methyl-3-phenyl-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C16H12F3N/c1-10-15(11-5-3-2-4-6-11)13-8-7-12(16(17,18)19)9-14(13)20-10/h2-9,20H,1H3
• InChI Key: WYTMPLDWEORJMJ-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C2=C(N1)C=C(C=C2)C(F)(F)F)C3=CC=CC=C3

• Molecular Formula: C16H12F3N
• Molecular Weight: 275.27

• XLogP3-AA: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 275.09218387 g/mol
• Monoisotopic Mass: 275.09218387 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 335