Cas no 942475-13-0 (1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone)

1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone structure
942475-13-0 structure
Product Name:1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone
CAS No:942475-13-0
MF:C12H13F3O
MW:230.226234197617
CID:3157473
PubChem ID:26597830
Update Time:2025-04-21

1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,5-Diethylphenyl)-2,2,2-trifluoroethanone
    • 942475-13-0
    • 3,5-Diethyl-2,2,2-trifluoroacetophenone
    • 1-(3,5-Diethylphenyl)-2,2,2-trifluoroethan-1-one
    • MDL: MFCD09750905
    • Inchi: 1S/C12H13F3O/c1-3-8-5-9(4-2)7-10(6-8)11(16)12(13,14)15/h5-7H,3-4H2,1-2H3
    • InChI Key: OFZOKSOHLNQNOV-UHFFFAOYSA-N
    • SMILES: FC(C(C1C=C(CC)C=C(C=1)CC)=O)(F)F

Computed Properties

  • Exact Mass: 230.09184952Da
  • Monoisotopic Mass: 230.09184952Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 235
  • 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: 4.3
  • Topological Polar Surface Area: 17.1?2
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