CAS 898767-12-9
:7-(4-fluorophenyl)-7-oxo-heptanenitrile
Description:
7-(4-Fluorophenyl)-7-oxo-heptanenitrile, identified by its CAS number 898767-12-9, is a chemical compound characterized by its unique molecular structure, which includes a heptane backbone with a ketone functional group and a nitrile group. The presence of the 4-fluorophenyl substituent indicates that there is a fluorine atom attached to a phenyl ring, which can influence the compound's reactivity and physical properties. This compound is likely to exhibit moderate polarity due to the nitrile and ketone groups, which can engage in hydrogen bonding and dipole interactions. Its molecular weight and specific functional groups suggest potential applications in pharmaceuticals or organic synthesis, where such compounds may serve as intermediates or active ingredients. Additionally, the fluorine atom can enhance the lipophilicity and metabolic stability of the compound, making it of interest in medicinal chemistry. As with any chemical substance, safety data and handling precautions should be reviewed before use.
Formula:C13H14FNO
InChI:InChI=1/C13H14FNO/c14-12-8-6-11(7-9-12)13(16)5-3-1-2-4-10-15/h6-9H,1-5H2
SMILES:C(CCC#N)CCC(=O)c1ccc(cc1)F
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