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CAS 163714-65-6

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Hexanoic acid, 6,6,6-trifluoro-3-oxo-, ethyl ester

Description:
Hexanoic acid, 6,6,6-trifluoro-3-oxo-, ethyl ester, with the CAS number 163714-65-6, is an organic compound characterized by its ester functional group derived from hexanoic acid and a trifluoroacetyl moiety. This compound features a six-carbon chain, which contributes to its hydrophobic properties, while the trifluoromethyl groups enhance its lipophilicity and may impart unique reactivity due to the electronegative fluorine atoms. The presence of the keto group (3-oxo) suggests potential for tautomerization and reactivity in various chemical transformations. Typically, esters like this one exhibit moderate volatility and can be soluble in organic solvents, but their solubility in water is generally limited due to the hydrophobic carbon chain. This compound may find applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical entities. Safety data should be consulted for handling, as the presence of fluorine can indicate potential toxicity or environmental concerns.
Formula:C8H11F3O3
InChI:InChI=1S/C8H11F3O3/c1-2-14-7(13)5-6(12)3-4-8(9,10)11/h2-5H2,1H3
InChI key:InChIKey=OJZWNFAUTZXWPS-UHFFFAOYSA-N
SMILES:C(CCC(F)(F)F)(CC(OCC)=O)=O
Synonyms:
  • Hexanoic acid, 6,6,6-trifluoro-3-oxo-, ethyl ester
  • Ethyl 6,6,6-trifluoro-3-oxohexanoate
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