CAS 1027514-26-6

α,α-Difluoro-4-(1-methylethyl)benzeneacetic acid

Description:

α,α-Difluoro-4-(1-methylethyl)benzeneacetic acid, identified by its CAS number 1027514-26-6, is a fluorinated aromatic compound characterized by the presence of two fluorine atoms and a branched alkyl group attached to a benzene ring. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The difluoromethyl substituents can enhance the lipophilicity and metabolic stability of the molecule, making it of interest in medicinal chemistry and agrochemical applications. The presence of the isopropyl group (1-methylethyl) may influence its steric properties and biological activity. Generally, compounds with such structural features can exhibit unique interactions with biological targets, potentially leading to varied pharmacological effects. Additionally, the fluorine atoms can impact the compound's physical properties, such as boiling point and solubility, and may also play a role in its environmental persistence. Overall, α,α-Difluoro-4-(1-methylethyl)benzeneacetic acid represents a class of compounds that are valuable in research and development within chemical and pharmaceutical industries.

Formula: C₁₁H₁₂F₂O₂

InChI: InChI=1S/C11H12F2O2/c1-7(2)8-3-5-9(6-4-8)11(12,13)10(14)15/h3-7H,1-2H3,(H,14,15)

InChI key: InChIKey=RLTRNPQXJAHTDB-UHFFFAOYSA-N

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

Synonyms:

• α,α-Difluoro-4-(1-methylethyl)benzeneacetic acid
• Benzeneacetic acid, α,α-difluoro-4-(1-methylethyl)-
• 2,2-Difluoro-2-[4-(propan-2-yl)phenyl]acetic acid