CAS 1261904-80-6

5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2(1H)-pyrimidinone

Description:

5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2(1H)-pyrimidinone is a chemical compound characterized by its pyrimidinone core, which features a fluorinated phenyl group. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound typically exhibits a solid-state at room temperature and is soluble in organic solvents, reflecting its non-polar characteristics due to the fluorinated substituents. The fluorine atoms contribute to the compound's stability and can affect its reactivity, making it of interest in medicinal chemistry and drug design. The specific arrangement of functional groups suggests potential applications in pharmaceuticals, particularly in the development of compounds targeting specific biological pathways. Additionally, the compound's unique structure may lead to interesting interactions with biological macromolecules, which can be explored in further research. As with many fluorinated compounds, safety and handling precautions should be observed due to potential toxicity and environmental impact.

Formula: C₁₁H₆F₄N₂O

InChI: InChI=1S/C11H6F4N2O/c12-9-2-1-6(3-8(9)11(13,14)15)7-4-16-10(18)17-5-7/h1-5H,(H,16,17,18)

InChI key: InChIKey=JHSNQEFVFTUBDY-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C(C=CC1F)C2=CNC(=O)N=C2

Synonyms:

• 5-[4-Fluoro-3-(trifluoromethyl)phenyl]-2(1H)-pyrimidinone
• 2(1H)-Pyrimidinone, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-