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CAS 898752-43-7

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Ethyl 3,5-difluoro-ζ-oxobenzeneheptanoate

Description:
Ethyl 3,5-difluoro-ζ-oxobenzeneheptanoate is a chemical compound characterized by its unique structure, which includes an ethyl ester functional group and a heptanoate chain. The presence of two fluorine atoms at the 3 and 5 positions of the aromatic ring contributes to its distinct chemical properties, such as increased lipophilicity and potential biological activity. The "ζ-oxobenzene" part of the name indicates the presence of a ketone functional group adjacent to the aromatic system, which can influence reactivity and stability. This compound may exhibit interesting interactions in various chemical environments, making it a candidate for applications in pharmaceuticals or agrochemicals. Its molecular structure suggests potential for hydrogen bonding and dipole-dipole interactions due to the electronegative fluorine atoms and the carbonyl group. As with many fluorinated compounds, it may also possess unique solubility characteristics and metabolic stability. However, specific applications and safety profiles would require further investigation and analysis.
Formula:C15H18F2O3
InChI:InChI=1S/C15H18F2O3/c1-2-20-15(19)7-5-3-4-6-14(18)11-8-12(16)10-13(17)9-11/h8-10H,2-7H2,1H3
InChI key:InChIKey=FUTVHWRETVBWNK-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC(F)=CC(F)=C1
Synonyms:
  • Benzeneheptanoic acid, 3,5-difluoro-ζ-oxo-, ethyl ester
  • Ethyl 3,5-difluoro-ζ-oxobenzeneheptanoate
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