CAS 898752-14-2

ethyl 8-(3-fluorophenyl)-8-oxo-octanoate

Description:

Ethyl 8-(3-fluorophenyl)-8-oxo-octanoate is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethanol) and a carboxylic acid. This compound features a long carbon chain, specifically an octanoate backbone, which contributes to its hydrophobic properties. The presence of the 3-fluorophenyl group introduces a fluorine atom, enhancing the compound's lipophilicity and potentially influencing its biological activity. The ketone functional group (8-oxo) indicates the presence of a carbonyl group within the carbon chain, which can participate in various chemical reactions, including nucleophilic additions. Ethyl 8-(3-fluorophenyl)-8-oxo-octanoate may exhibit interesting pharmacological properties, making it a candidate for research in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in the synthesis of compounds with specific biological activities. As with many organic compounds, its stability, reactivity, and solubility will depend on environmental conditions such as temperature and pH.

Formula: C₁₆H₂₁FO₃

InChI: InChI=1/C16H21FO3/c1-2-20-16(19)11-6-4-3-5-10-15(18)13-8-7-9-14(17)12-13/h7-9,12H,2-6,10-11H2,1H3

InChI key: InChIKey=OTCVKASYZCLLEU-UHFFFAOYSA-N

SMILES: C(CCCCCCC(OCC)=O)(=O)C1=CC(F)=CC=C1

Synonyms:

• Benzeneoctanoic acid, 3-fluoro-η-oxo-, ethyl ester
• Ethyl 3-fluoro-η-oxobenzeneoctanoate
• ETHYL 8-(3-FLUOROPHENYL)-8-OXOOCTANOATE