CAS 90525-57-8

4-Cyano-3-fluorophenyl trans-4-propylcyclohexanecarboxylate

Description:

4-Cyano-3-fluorophenyl trans-4-propylcyclohexanecarboxylate, with the CAS number 90525-57-8, is an organic compound characterized by its complex structure, which includes a cyano group, a fluorine atom, and a cyclohexanecarboxylate moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems due to the presence of the phenyl and cyclohexane rings. The cyano group contributes to its polarity and potential reactivity, while the fluorine atom can influence its electronic properties and stability. The trans configuration of the propyl group on the cyclohexane ring affects the steric and electronic interactions within the molecule. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in drug development or as a building block in organic synthesis. Its solubility, melting point, and other physical properties would depend on the specific conditions and solvent used. Safety data and handling precautions should be consulted when working with this substance.

Formula: C₁₇H₂₀FNO₂

InChI: InChI=1/C17H20FNO2/c1-2-3-12-4-6-13(7-5-12)17(20)21-15-9-8-14(11-19)16(18)10-15/h8-10,12-13H,2-7H2,1H3/t12-,13-

InChI key: InChIKey=FVNRZUYRHIAXDA-JOCQHMNTNA-N

SMILES: C(OC1=CC(F)=C(C#N)C=C1)(=O)[C@H]2CC[C@H](CCC)CC2

Synonyms:

• 4-Cyano-3-Fluorophenyl Trans-4-Propylcyclohexanecarboxylate
• Cyclohexanecarboxylic acid, 4-propyl-, 4-cyano-3-fluorophenyl ester, trans-