Cas no 1023697-80-4 (Methyl 4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate)

Methyl 4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate structure
1023697-80-4 structure
Product Name:Methyl 4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate
CAS No:1023697-80-4
MF:C7H7F3O4
MW:212.123293161392
CID:1084364
PubChem ID:73553776
Update Time:2025-04-20

Methyl 4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate
    • Methyl (2Z)-4,4,4-trifluoro-2-(methoxymethylene)-3-oxobutanoate
    • SCHEMBL597199
    • 1023697-80-4
    • Inchi: 1S/C7H7F3O4/c1-13-3-4(6(12)14-2)5(11)7(8,9)10/h3H,1-2H3/b4-3-
    • InChI Key: XAJDZVORTHXXCC-ARJAWSKDSA-N
    • SMILES: FC(C(/C(=C/OC)/C(=O)OC)=O)(F)F

Computed Properties

  • Exact Mass: 212.029643g/mol
  • Monoisotopic Mass: 212.029643g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 212.12g/mol
  • XLogP3: 1.3
  • Topological Polar Surface Area: 52.6?2
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