CAS 125369-54-2

2-(Trifluoromethyl)-1,3-propanediol

Description:

2-(Trifluoromethyl)-1,3-propanediol, with the CAS number 125369-54-2, is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) attached to a propane backbone that contains two hydroxyl (-OH) functional groups. This compound is typically a colorless liquid or solid, depending on the temperature, and is known for its high polarity due to the hydroxyl groups, which can engage in hydrogen bonding. The trifluoromethyl group imparts unique properties, such as increased lipophilicity and thermal stability, making it useful in various applications, including pharmaceuticals and agrochemicals. Its molecular structure contributes to its reactivity, particularly in nucleophilic substitution reactions. Additionally, the presence of fluorine atoms can enhance the compound's resistance to metabolic degradation, which is advantageous in certain chemical applications. Safety data should be consulted for handling, as fluorinated compounds can exhibit specific toxicological profiles. Overall, 2-(Trifluoromethyl)-1,3-propanediol is a versatile compound with significant implications in chemical synthesis and material science.

Formula: C₄H₇F₃O₂

InChI: InChI=1S/C4H7F3O2/c5-4(6,7)3(1-8)2-9/h3,8-9H,1-2H2

InChI key: InChIKey=KGJGAGLIIUNICR-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(CO)CO

Synonyms:

• 1,3-Propanediol, 2-(trifluoromethyl)-
• 2-(Trifluoromethyl)-1,3-propanediol