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CAS 287198-14-5

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5-[3,5-Bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole

Description:
5-[3,5-Bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole, with the CAS number 287198-14-5, is a chemical compound characterized by its oxadiazole core, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. This compound features a chloromethyl group and a phenyl ring that is heavily substituted with two trifluoromethyl groups, which significantly enhance its lipophilicity and potentially its biological activity. The presence of trifluoromethyl groups often imparts unique electronic properties, making such compounds of interest in various fields, including pharmaceuticals and agrochemicals. The chloromethyl group can serve as a reactive site for further chemical modifications, allowing for the synthesis of derivatives with tailored properties. Additionally, the compound's stability and reactivity can be influenced by the electron-withdrawing nature of the trifluoromethyl groups, which may affect its interactions in biological systems or its utility in synthetic applications. Overall, this compound exemplifies the complexity and versatility of modern organic chemistry.
Formula:C11H5ClF6N2O
InChI:InChI=1S/C11H5ClF6N2O/c12-4-8-19-9(21-20-8)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2
InChI key:InChIKey=OUOPGSAXEAUWIG-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C=C(C=C(C(F)(F)F)C1)C2=NC(CCl)=NO2
Synonyms:
  • 1,2,4-Oxadiazole, 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-
  • 5-[3,5-Bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
  • 5-[3,5-Bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
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