CAS 1161004-61-0
:Methyl 6,6,6-trifluoro-5-oxohexanoate
Description:
Methyl 6,6,6-trifluoro-5-oxohexanoate is an organic compound characterized by its ester functional group, which is derived from hexanoic acid. The presence of trifluoromethyl groups significantly influences its chemical properties, enhancing its lipophilicity and potentially altering its reactivity compared to non-fluorinated analogs. This compound features a six-carbon chain with a ketone functional group at the fifth position, contributing to its reactivity in various chemical reactions, such as nucleophilic additions. The trifluoromethyl groups can also impart unique electronic effects, making the compound of interest in medicinal chemistry and agrochemical applications. Methyl 6,6,6-trifluoro-5-oxohexanoate may exhibit distinct physical properties, including a specific boiling point and solubility characteristics, influenced by the fluorine atoms. Its molecular structure suggests potential applications in the synthesis of more complex molecules, particularly in the development of pharmaceuticals or agrochemicals. As with many fluorinated compounds, safety and environmental considerations are essential due to the persistence and potential toxicity of fluorinated substances.
Formula:C7H9F3O3
InChI:InChI=1S/C7H9F3O3/c1-13-6(12)4-2-3-5(11)7(8,9)10/h2-4H2,1H3
InChI key:InChIKey=LXBQVXIGYLVDLU-UHFFFAOYSA-N
SMILES:C(CCCC(OC)=O)(C(F)(F)F)=O
Synonyms:- Hexanoic acid, 6,6,6-trifluoro-5-oxo-, methyl ester
- Methyl 6,6,6-trifluoro-5-oxohexanoate
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