CAS 1220030-58-9

4-[(2-Fluorophenyl)methyl]hexahydro-5H-1,4-diazepin-5-one

Description:

4-[(2-Fluorophenyl)methyl]hexahydro-5H-1,4-diazepin-5-one is a chemical compound characterized by its unique structure, which includes a hexahydro-1,4-diazepine ring fused with a ketone functional group and a fluorophenyl substituent. The presence of the fluorine atom on the phenyl ring can influence the compound's electronic properties, potentially enhancing its lipophilicity and biological activity. This compound is likely to exhibit moderate to high stability under standard conditions, although specific reactivity would depend on the functional groups present. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychiatric disorders, given the diazepine framework commonly associated with anxiolytic and sedative effects. Additionally, the fluorine substitution may enhance binding affinity to biological targets. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its potential toxicity and environmental impact. Further studies would be necessary to fully elucidate its pharmacological properties and potential applications.

Formula: C₁₂H₁₅FN₂O

InChI: InChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)9-15-8-7-14-6-5-12(15)16/h1-4,14H,5-9H2

InChI key: InChIKey=DVEASQRPUZYFGA-UHFFFAOYSA-N

SMILES: C(C1=C(F)C=CC=C1)N2C(=O)CCNCC2

Synonyms:

• 4-[(2-Fluorophenyl)methyl]hexahydro-5H-1,4-diazepin-5-one
• 5H-1,4-Diazepin-5-one, 4-[(2-fluorophenyl)methyl]hexahydro-