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CAS 94856-24-3

:

4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1,3-butanedione

Description:
4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1,3-butanedione, with the CAS number 94856-24-3, is a fluorinated organic compound characterized by its unique trifluoromethyl groups, which significantly influence its chemical properties. This compound features a butanedione backbone, which contributes to its reactivity and potential applications in various chemical reactions, particularly in the synthesis of fluorinated pharmaceuticals and agrochemicals. The presence of multiple fluorine atoms enhances its lipophilicity and stability, making it resistant to degradation. Additionally, the compound's structure suggests potential for strong intermolecular interactions, such as hydrogen bonding and dipole-dipole interactions, due to the electronegative fluorine atoms. Its physical properties, such as boiling point and solubility, are influenced by the fluorinated groups, which can alter the compound's behavior in different solvents. Overall, 4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1,3-butanedione is of interest in materials science and medicinal chemistry due to its distinctive characteristics and potential utility in various applications.
Formula:C11H6F6O2
InChI:InChI=1S/C11H6F6O2/c12-10(13,14)7-3-1-2-6(4-7)8(18)5-9(19)11(15,16)17/h1-4H,5H2
InChI key:InChIKey=YQKXBCGSOZNMMC-UHFFFAOYSA-N
SMILES:C(CC(C(F)(F)F)=O)(=O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • (3-Trifluoromethylbenzoyl)-3,3,3-trifluoroacetone
  • 1,1,1-Trifluoro-4-(3′-trifluoromethylphenyl)-2,4-butanedione
  • 1,3-Butanedione, 4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]-
  • 4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]-1,3-butanedione
  • 1-(3-trifluoromethyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione
  • AKOS BBR-004687
  • 4,4,4-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)BUTANE-1,3-DIONE
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