Cas no 836-31-7 (4,4,4-Trifluoro-3-oxo-N-phenylbutanamide)

4,4,4-Trifluoro-3-oxo-N-phenylbutanamide is a fluorinated organic compound featuring a trifluoromethyl ketone moiety and an N-phenyl amide group. This structure imparts unique reactivity and stability, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the β-ketoamide functionality offers versatile reactivity for further derivatization. Its electron-withdrawing properties facilitate nucleophilic addition reactions, enabling the construction of complex heterocycles or fluorinated scaffolds. The compound is particularly useful in medicinal chemistry for designing bioactive molecules targeting enzymes or receptors. High purity grades ensure reproducibility in research and industrial applications. Its well-defined crystalline form allows for easy handling and characterization.
4,4,4-Trifluoro-3-oxo-N-phenylbutanamide structure
836-31-7 structure
Product Name:4,4,4-Trifluoro-3-oxo-N-phenylbutanamide
CAS No:836-31-7
MF:C10H8F3NO2
MW:231.171233177185
CID:844254
PubChem ID:11436170
Update Time:2025-07-02

4,4,4-Trifluoro-3-oxo-N-phenylbutanamide Chemical and Physical Properties

Names and Identifiers

    • 4,4,4-Trifluoro-3-oxo-N-phenylbutanamide
    • 4,4,4-trifluoro-3-oxo-N-phenylbutyramide
    • 4,4,4-trifluoroecatoacetanilides
    • 2-(trifluoroacetyl)acetanilide
    • DTXSID30465825
    • SCHEMBL6536464
    • AKOS015951305
    • 836-31-7
    • QJYDWPJWCSDYAG-UHFFFAOYSA-N
    • DB-331812
    • MDL： MFCD20926266
    • Inchi： 1S/C10H8F3NO2/c11-10(12,13)8(15)6-9(16)14-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)
    • InChI Key： QJYDWPJWCSDYAG-UHFFFAOYSA-N
    • SMILES： FC(C(CC(NC1C=CC=CC=1)=O)=O)(F)F

Computed Properties

  • Exact Mass: 231.05100
  • Monoisotopic Mass: 231.05071298g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 270
  • 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: 46.2?2

Experimental Properties

  • PSA: 49.66000
  • LogP: 2.79610

4,4,4-Trifluoro-3-oxo-N-phenylbutanamide Pricemore >>

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Crysdot LLC
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Ambeed
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