CAS 1027513-87-6

2,2-Difluoro-3-methylbutanoic acid

Description:

2,2-Difluoro-3-methylbutanoic acid is an organic compound characterized by the presence of two fluorine atoms and a carboxylic acid functional group. Its molecular structure features a branched chain, with the fluorine substituents located on the second carbon and a methyl group on the third carbon of a butanoic acid backbone. This compound is typically a colorless liquid or solid, depending on temperature, and is known for its relatively low volatility and moderate solubility in polar solvents due to the carboxylic acid group. The presence of fluorine atoms imparts unique properties, such as increased lipophilicity and potential biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. Additionally, the compound may exhibit specific reactivity patterns typical of carboxylic acids, such as undergoing esterification or reacting with bases to form salts. Safety data should be consulted for handling and storage, as fluorinated compounds can have specific environmental and health considerations.

Formula: C₅H₈F₂O₂

InChI: InChI=1S/C5H8F2O2/c1-3(2)5(6,7)4(8)9/h3H,1-2H3,(H,8,9)

InChI key: InChIKey=MMVPUOUMTMFAAN-UHFFFAOYSA-N

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

Synonyms:

• 2,2-Difluoro-3-methylbutanoic acid
• Butanoic acid, 2,2-difluoro-3-methyl-