CAS 1242336-73-7
:2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-5-(trifluoromethyl)-1H-isoindol-1-one
Description:
2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-5-(trifluoromethyl)-1H-isoindol-1-one, with the CAS number 1242336-73-7, is a chemical compound characterized by its complex structure, which includes an isoindole framework. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its hydrophobic properties, and a trifluoromethyl group that enhances its lipophilicity and may influence its biological activity. The presence of a hydroxyl group indicates potential for hydrogen bonding, which can affect solubility and reactivity. The dihydroisoindole structure suggests that it may exhibit interesting electronic properties, potentially making it a candidate for various applications in medicinal chemistry or materials science. Additionally, the trifluoromethyl group is known to impart unique characteristics, such as increased metabolic stability and altered pharmacokinetics in drug design. Overall, this compound's unique combination of functional groups and structural features may lead to diverse applications in research and industry.
Formula:C13H14F3NO2
InChI:InChI=1S/C13H14F3NO2/c1-12(2,3)17-10(18)8-5-4-7(13(14,15)16)6-9(8)11(17)19/h4-6,11,19H,1-3H3
InChI key:InChIKey=YXAHLDWXVSCZAL-UHFFFAOYSA-N
SMILES:OC1C=2C(C(=O)N1C(C)(C)C)=CC=C(C(F)(F)F)C2
Synonyms:- 2-(1,1-Dimethylethyl)-2,3-dihydro-3-hydroxy-5-(trifluoromethyl)-1H-isoindol-1-one
- 1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-5-(trifluoromethyl)-
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2-t-Butyl-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
CAS:Formula:C13H14F3NO2Molecular weight:273.2510
