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CAS 90525-56-7

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4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate

Description:
4-Cyano-3-fluorophenyl trans-4-ethylcyclohexanecarboxylate is an organic compound characterized by its complex structure, which includes a cyano group, a fluorophenyl moiety, and an ethyl-substituted cyclohexanecarboxylate. The presence of the cyano group (-CN) contributes to its potential as a polar functional group, influencing its reactivity and solubility in various solvents. The fluorine atom in the phenyl ring can enhance the compound's lipophilicity and may affect its electronic properties, making it useful in various chemical applications, including pharmaceuticals and agrochemicals. The trans configuration of the ethylcyclohexanecarboxylate portion suggests specific stereochemical properties that can impact the compound's biological activity and interactions. Additionally, the compound's molecular weight, boiling point, and melting point are influenced by its structural components, which can be relevant for its handling and application in synthetic processes. Overall, this compound's unique combination of functional groups and stereochemistry makes it a subject of interest in organic synthesis and material science.
Formula:C16H18FNO2
InChI:InChI=1/C16H18FNO2/c1-2-11-3-5-12(6-4-11)16(19)20-14-8-7-13(10-18)15(17)9-14/h7-9,11-12H,2-6H2,1H3/t11-,12-
InChI key:InChIKey=XKPXEPFCVKWEML-HAQNSBGRNA-N
SMILES:C(OC1=CC(F)=C(C#N)C=C1)(=O)[C@H]2CC[C@H](CC)CC2
Synonyms:
  • 4-Cyano-3-Fluorophenyl Trans-4-Ethylcyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, 4-ethyl-, 4-cyano-3-fluorophenyl ester, trans-
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