CAS 1208080-44-7

3-Fluoro-4-[(trifluoromethyl)thio]benzoic acid

Description:

3-Fluoro-4-[(trifluoromethyl)thio]benzoic acid is an aromatic compound characterized by the presence of a benzoic acid moiety substituted with a fluorine atom and a trifluoromethylthio group. The molecular structure features a fluorine atom at the meta position relative to the carboxylic acid group, which can influence the compound's acidity and reactivity. The trifluoromethylthio group introduces significant electronegativity, enhancing the compound's lipophilicity and potentially affecting its biological activity. This compound is likely to exhibit properties typical of both fluorinated and thioether compounds, such as increased stability and altered solubility in various solvents. Its unique functional groups may also contribute to its utility in organic synthesis and pharmaceutical applications. Additionally, the presence of multiple fluorine atoms can enhance the compound's resistance to metabolic degradation, making it of interest in medicinal chemistry. Overall, 3-Fluoro-4-[(trifluoromethyl)thio]benzoic acid is a complex molecule with potential applications in various fields, including agrochemicals and materials science.

Formula: C₈H₄F₄O₂S

InChI: InChI=1S/C8H4F4O2S/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)

InChI key: InChIKey=WSWJDMKZQVITFK-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)C1=C(F)C=C(C(O)=O)C=C1

Synonyms:

• Benzoic acid, 3-fluoro-4-[(trifluoromethyl)thio]-
• 3-Fluoro-4-[(trifluoromethyl)thio]benzoic acid