CAS 898767-27-6
:3-Fluoro-η-oxobenzeneoctanenitrile
Description:
3-Fluoro-η-oxobenzeneoctanenitrile, identified by its CAS number 898767-27-6, is a chemical compound that features a unique combination of functional groups, including a fluoro substituent, an oxo group, and a nitrile group. The presence of the fluoro group suggests that it may exhibit enhanced reactivity and potential applications in pharmaceuticals or agrochemicals due to the electronegative nature of fluorine, which can influence the compound's polarity and solubility. The oxo group indicates the presence of a carbonyl functionality, which can participate in various chemical reactions, including nucleophilic additions. The octanenitrile portion of the molecule indicates a long carbon chain terminated by a nitrile group, which can impart specific physical properties such as increased hydrophobicity and potential for interactions in biological systems. Overall, the structural characteristics of 3-Fluoro-η-oxobenzeneoctanenitrile suggest it may have interesting chemical behavior and potential applications in various fields, including materials science and medicinal chemistry.
Formula:C14H16FNO
InChI:InChI=1S/C14H16FNO/c15-13-8-6-7-12(11-13)14(17)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9H2
InChI key:InChIKey=YJRYGQWMERGCSN-UHFFFAOYSA-N
SMILES:C(CCCCCCC#N)(=O)C1=CC(F)=CC=C1
Synonyms:- 3-Fluoro-η-oxobenzeneoctanenitrile
- Benzeneoctanenitrile, 3-fluoro-η-oxo-
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