Ethyl 5-cyano-1-[3-(trifluoromethoxy)benzyl]-1H-indole-2-carboxylate

• Catalog: OFC1980040376
• CAS: 1980040-37-6
• Category: Fluorinated Indoles
• MDL Number: MFCD20444424

• IUPAC Name: ethyl 5-cyano-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylate
• InChI: InChI=1S/C20H15F3N2O3/c1-2-27-19(26)18-10-15-8-13(11-24)6-7-17(15)25(18)12-14-4-3-5-16(9-14)28-20(21,22)23/h3-10H,2,12H2,1H3
• InChI Key: PQIXBODYFIAZBM-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC(F)(F)F)C=CC(=C2)C#N

• Molecular Formula: C20H15F3N2O3
• Molecular Weight: 388.34

• XLogP3-AA: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 388.10347683 g/mol
• Monoisotopic Mass: 388.10347683 g/mol
• Topological Polar Surface Area: 64.2Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 603