Cas no 1161004-57-4 (Ethyl 5,5-difluoro-4-oxopentanoate)

Ethyl 5,5-difluoro-4-oxopentanoate is a fluorinated ester compound with notable applications in organic synthesis and pharmaceutical intermediates. Its structure, featuring a difluoromethyl group adjacent to a carbonyl functionality, enhances reactivity and selectivity in nucleophilic addition and substitution reactions. The ethyl ester group improves solubility in organic solvents, facilitating handling and further derivatization. This compound is particularly valuable in the synthesis of fluorinated analogs of biologically active molecules, leveraging the metabolic stability and lipophilicity imparted by the fluorine atoms. Its well-defined reactivity profile makes it a versatile building block for constructing complex fluorinated scaffolds in medicinal chemistry and materials science.
Ethyl 5,5-difluoro-4-oxopentanoate structure
1161004-57-4 structure
Product Name:Ethyl 5,5-difluoro-4-oxopentanoate
CAS No:1161004-57-4
MF:C7H10F2O3
MW:180.149309635162
CID:1027034
PubChem ID:46220654
Update Time:2025-11-02

Ethyl 5,5-difluoro-4-oxopentanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5,5-difluoro-4-oxopentanoate
    • 1161004-57-4
    • Ethyl5,5-difluoro-4-oxopentanoate
    • WFCOGDWJQJCTRJ-UHFFFAOYSA-N
    • SCHEMBL22123111
    • MFCD19689230
    • DTXSID30673120
    • DB-351573
    • MDL： MFCD19689230
    • Inchi： 1S/C7H10F2O3/c1-2-12-6(11)4-3-5(10)7(8)9/h7H,2-4H2,1H3
    • InChI Key： WFCOGDWJQJCTRJ-UHFFFAOYSA-N
    • SMILES： FC(C(CCC(=O)OCC)=O)F

Computed Properties

  • Exact Mass: 180.05980050g/mol
  • Monoisotopic Mass: 180.05980050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 168
  • 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: 0.9
  • Topological Polar Surface Area: 43.4?2

Ethyl 5,5-difluoro-4-oxopentanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E071020-50mg
Ethyl 5,5-difluoro-4-oxopentanoate
 1161004-57-4
50mg
 $ 445.00 2022-06-05
TRC
E071020-100mg
Ethyl 5,5-difluoro-4-oxopentanoate
 1161004-57-4
100mg
 $ 740.00 2022-06-05
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1656900-1g
Ethyl 5,5-difluoro-4-oxopentanoate
 1161004-57-4 98%
1g
 ￥4950.00 2024-08-09

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