Cas no 1357945-70-0 (6-(trifluoromethyl)isoquinolin-3-amine)

6-(trifluoromethyl)isoquinolin-3-amine structure
1357945-70-0 structure
Product Name:6-(trifluoromethyl)isoquinolin-3-amine
CAS No:1357945-70-0
MF:C10H7F3N2
MW:212.171192407608
CID:1240071
PubChem ID:71742568
Update Time:2025-04-20

6-(trifluoromethyl)isoquinolin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 6-(trifluoromethyl)isoquinolin-3-amine
    • 1357945-70-0
    • XZLORAZQZHPSLH-UHFFFAOYSA-N
    • DTXSID30857226
    • SCHEMBL19877224
    • Inchi: 1S/C10H7F3N2/c11-10(12,13)8-2-1-6-5-15-9(14)4-7(6)3-8/h1-5H,(H2,14,15)
    • InChI Key: XZLORAZQZHPSLH-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC2C=NC(=CC=2C=1)N)(F)F

Computed Properties

  • Exact Mass: 212.05613272g/mol
  • Monoisotopic Mass: 212.05613272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 38.9?2
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