Cas no 339369-59-4 (2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-)

2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)- structure
339369-59-4 structure
Product Name:2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-
CAS No:339369-59-4
MF:C6H5F4N3O
MW:211.11701464653
CID:302111
PubChem ID:22832112
Update Time:2025-04-19

2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)-
    • 4-FLUORO-6-(2,2,2-TRIFLUOROETHOXY)-2-PYRIMIDINAMINE
    • 4-fluoro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
    • 2-Pyrimidinamine,4-fluoro-6-(2,2,2-trifluoroethoxy)
    • 4-fluoranyl-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-2-amine
    • A822007
    • 339369-59-4
    • FT-0713104
    • DTXSID30628610
    • 2-AMINO-4-TRIFLUOROETHOXY-6-FLUOROPYRIMIDINE
    • Inchi: 1S/C6H5F4N3O/c7-3-1-4(13-5(11)12-3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
    • InChI Key: MPNAWRJSBDBAJQ-UHFFFAOYSA-N
    • SMILES: FC(COC1C=C(N=C(N)N=1)F)(F)F

Computed Properties

  • Exact Mass: 211.03700
  • Monoisotopic Mass: 211.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.7
  • Topological Polar Surface Area: 61A^2

Experimental Properties

  • Density: 1.515
  • Boiling Point: 275.9°Cat760mmHg
  • Flash Point: 120.7°C
  • Refractive Index: 1.464
  • PSA: 61.03000
  • LogP: 1.72020

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