Tert-butyl 5-(trifluoromethyl)-1H-indole-1-carboxylate

• Catalog: OFC351500124
• CAS: 351500-12-4
• Category: Fluorinated Indoles
• Synonyms: 1-(tert-Butoxycarbonyl)-5-(trifluoromethyl)-1H-indole
• MDL Number: MFCD13183435

• IUPAC Name: tert-butyl 5-(trifluoromethyl)indole-1-carboxylate
• InChI: InChI=1S/C14H14F3NO2/c1-13(2,3)20-12(19)18-7-6-9-8-10(14(15,16)17)4-5-11(9)18/h4-8H,1-3H3
• InChI Key: NVSAIWNMMGKWDN-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)C(F)(F)F

• Molecular Formula: C14H14F3NO2
• Molecular Weight: 285.26

• XLogP3-AA: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 285.09766318 g/mol
• Monoisotopic Mass: 285.09766318 g/mol
• Topological Polar Surface Area: 31.2Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 376