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CAS 4504-94-3

:

3-(Trifluoromethyl)dibenz[b,e]oxepin-11(6H)-one

Description:
3-(Trifluoromethyl)dibenz[b,e]oxepin-11(6H)-one, identified by its CAS number 4504-94-3, is a chemical compound that belongs to the class of dibenzoxepins, which are polycyclic aromatic compounds. This substance features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of the oxepin ring contributes to its structural complexity and may affect its reactivity and interactions with biological systems. Typically, compounds of this nature are studied for their potential pharmacological applications, particularly in the fields of medicinal chemistry and drug development. The trifluoromethyl group is known to enhance metabolic stability and can modulate the compound's interaction with biological targets. Additionally, the compound's unique structure may exhibit interesting photophysical properties, making it a candidate for various applications in materials science and organic electronics. Overall, 3-(Trifluoromethyl)dibenz[b,e]oxepin-11(6H)-one represents a fascinating subject for further research in both synthetic and applied chemistry.
Formula:C15H9F3O2
InChI:InChI=1S/C15H9F3O2/c16-15(17,18)10-5-6-12-13(7-10)20-8-9-3-1-2-4-11(9)14(12)19/h1-7H,8H2
InChI key:InChIKey=LJXVSEITOIGFPP-UHFFFAOYSA-N
SMILES:O=C1C=2C(=CC(C(F)(F)F)=CC2)OCC=3C1=CC=CC3
Synonyms:
  • 3-(Trifluoromethyl)dibenz[b,e]oxepin-11(6H)-one
  • Dibenz[b,e]oxepin-11(6H)-one, 3-(trifluoromethyl)-
  • dibenzo[b,e]oxepin-11(6H)
  • 3-(trifluoromethyl)dibenzo[b,e]oxepin-11(6H)-one
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