Cas no 94633-25-7 (1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate)

1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate structure
94633-25-7 structure
Product Name:1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate
CAS No:94633-25-7
MF:C10H13F3O5
MW:270.202434301376
MDL:MFCD07779768
CID:2818186
PubChem ID:11346247
Update Time:2025-04-21

1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate Chemical and Physical Properties

Names and Identifiers

    • 1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate
    • Ethyl 5,5,5-trifluoro-4-oxo-3-ethoxycarbonyl-pentanoate
    • Butanedioic acid, (trifluoroacetyl)-, diethyl ester
    • DTXCID80413917
    • F1911-3841
    • Diethyl2-(2,2,2-trifluoroacetyl)succinate
    • Diethyl 2-(trifluoroacetyl)succinate
    • AKOS023113039
    • SCHEMBL1061575
    • UDA63325
    • 94633-25-7
    • 2-(2,2,2-trifluoro-acetyl)-succinic acid diethyl ester
    • Diethyl 2-(2,2,2-trifluoroacetyl)butanedioate
    • AS-68958
    • Diethyl 2-(2,2,2-trifluoroacetyl)succinate
    • s11596
    • MFCD07779768
    • diethyl 2-trifluoroacetylsuccinate
    • DTXSID80463098
    • MDL: MFCD07779768
    • Inchi: 1S/C10H13F3O5/c1-3-17-7(14)5-6(9(16)18-4-2)8(15)10(11,12)13/h6H,3-5H2,1-2H3
    • InChI Key: VFUJVMLDXHUHOP-UHFFFAOYSA-N
    • SMILES: FC(C(C(C(=O)OCC)CC(=O)OCC)=O)(F)F

Computed Properties

  • Exact Mass: 270.07150800Da
  • Monoisotopic Mass: 270.07150800Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 324
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 69.7?2

1,4-diethyl 2-(2,2,2-trifluoroacetyl)butanedioate Pricemore >>

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