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CAS 231630-90-3

:

1,1,1-Trifluoro-2-phenyl-5-[2-(trifluoromethyl)phenyl]-3-hexyne-2,5-diol

Description:
1,1,1-Trifluoro-2-phenyl-5-[2-(trifluoromethyl)phenyl]-3-hexyne-2,5-diol is a complex organic compound characterized by its unique structure, which includes multiple functional groups and fluorinated moieties. The presence of trifluoromethyl groups enhances its lipophilicity and can influence its reactivity and biological activity. This compound features a hexyne backbone, indicating the presence of a triple bond, which contributes to its unsaturation and potential for various chemical reactions, such as addition or substitution. The diol functional groups suggest the presence of hydroxyl (-OH) groups, which can participate in hydrogen bonding, affecting the compound's solubility and interaction with other molecules. Additionally, the phenyl groups provide aromatic characteristics, which can influence the compound's stability and electronic properties. Overall, this compound's unique combination of fluorinated and aromatic structures makes it of interest in fields such as medicinal chemistry, materials science, and agrochemicals, where fluorinated compounds often exhibit enhanced performance or specificity.
Formula:C19H14F6O2
InChI:InChI=1S/C19H14F6O2/c1-16(26,14-9-5-6-10-15(14)18(20,21)22)11-12-17(27,19(23,24)25)13-7-3-2-4-8-13/h2-10,26-27H,1H3
InChI key:InChIKey=PXAJNJUAUSATPJ-UHFFFAOYSA-N
SMILES:C(C#CC(C(F)(F)F)(O)C1=CC=CC=C1)(C)(O)C2=C(C(F)(F)F)C=CC=C2
Synonyms:
  • 3-Hexyne-2,5-diol, 1,1,1-trifluoro-2-phenyl-5-[2-(trifluoromethyl)phenyl]-
  • 1,1,1-Trifluoro-2-phenyl-5-[2-(trifluoromethyl)phenyl]-3-hexyne-2,5-diol
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