CAS 873790-28-4

2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylic acid

Description:

2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylic acid is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of two methyl groups at the 2 and 5 positions of the pyrrole ring contributes to its hydrophobic characteristics, while the carboxylic acid functional group at the 3 position introduces acidity and polar characteristics, enhancing its solubility in polar solvents. The trifluoroethyl substituent at the 1 position significantly influences the compound's electronic properties and lipophilicity due to the electronegative fluorine atoms, which can affect its reactivity and interactions with biological systems. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its unique structure suggests potential applications in drug development, particularly in designing molecules with specific biological activities. As with any chemical, safety and handling precautions should be observed, given the presence of fluorinated groups which can pose environmental and health risks.

Formula: C₉H₁₀F₃NO₂

InChI: InChI=1S/C9H10F3NO2/c1-5-3-7(8(14)15)6(2)13(5)4-9(10,11)12/h3H,4H2,1-2H3,(H,14,15)

InChI key: InChIKey=ZYOPSRRCTHKRMZ-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)N1C(C)=C(C(O)=O)C=C1C

Synonyms:

• 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-
• 2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylic acid