tert-Butyl (2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)carbamate

• Catalog: OFC1132910792
• CAS: 1132910-79-2
• Category: Fluorinated Indoles
• Synonyms: [2-(5-Trifluoromethyl-1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
• Purity: 95%
• MDL Number: MFCD22571658

• IUPAC Name: tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
• InChI: InChI=1S/C16H19F3N2O2/c1-15(2,3)23-14(22)20-7-6-10-9-21-13-5-4-11(8-12(10)13)16(17,18)19/h4-5,8-9,21H,6-7H2,1-3H3,(H,20,22)
• InChI Key: LIDUAVFHEXFKOH-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)C(F)(F)F

• Molecular Formula: C16H19F3N2O2
• Molecular Weight: 328.33
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 328.13986234 g/mol
• Monoisotopic Mass: 328.13986234 g/mol
• Topological Polar Surface Area: 54.1Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 421