5-Methoxy-6-(trifluoromethyl)-1H-indole

• Catalog: OFC178896781
• CAS: 178896-78-1
• Category: Fluorinated Indoles
• Synonyms: 6-(trifluoromethyl)-5-methoxy-1H-indole; methyl 6-(trifluoromethyl)-1H-indol-5-yl ether
• MDL Number: MFCD11848569

• IUPAC Name: 5-methoxy-6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
• InChI Key: KNMAZUXTEPXPOM-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C(C=C2C(=C1)C=CN2)C(F)(F)F
• EC Number: 687-418-2

• Molecular Formula: C10H8F3NO
• Molecular Weight: 215.17
• Melting Point: 104-105 °C

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.05579836 g/mol
• Monoisotopic Mass: 215.05579836 g/mol
• Topological Polar Surface Area: 25Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231