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CAS 181943-55-5

:

3,4,5-Trifluorophenyl (trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylate

Description:
3,4,5-Trifluorophenyl (trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylate is a chemical compound characterized by its complex structure, which includes a trifluorophenyl group and a bicyclohexyl moiety. The presence of three fluorine atoms on the phenyl ring enhances its lipophilicity and may influence its reactivity and biological activity. The trans,trans configuration of the bicyclohexyl component contributes to the compound's stereochemistry, potentially affecting its interactions with biological targets. This compound is likely to exhibit unique physical properties, such as solubility and melting point, influenced by its functional groups and overall molecular architecture. Additionally, the carboxylate group may participate in hydrogen bonding and ionic interactions, which can be significant in biological systems or when used in synthetic applications. Overall, the combination of these structural features suggests that this compound could have potential applications in pharmaceuticals or materials science, although specific biological or chemical activities would require further investigation.
Formula:C21H27F3O2
InChI:InChI=1/C21H27F3O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25)26-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3/t13-,14-,15-,16-
InChI key:InChIKey=JRVLFALUMBSZRJ-BIAGXBKMNA-N
SMILES:O(C(=O)[C@@H]1CC[C@](CC1)([C@@]2(CC[C@@H](CC)CC2)[H])[H])C3=CC(F)=C(F)C(F)=C3
Synonyms:
  • 2-HHEB(F,F)-F
  • 3,4,5-Trifluorophenyl (trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-carboxylate
  • [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-ethyl-, 3,4,5-trifluorophenyl ester, (trans,trans)-
  • CCZU 2F
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