4590-52-7 | NISTC4590527

CAS:4590-52-7 | NISTC4590527,Description

7-fluoro-3,4-dihydroquinolin-2(1H)-one is a chemical compound with the molecular formula C9H8FNO. It has a molecular weight of 165.16 g/mol.

Molecular Structure Analysis

The IUPAC name for this compound is 7-fluoro-3,4-dihydro-1H-quinolin-2-one. The InChI code is InChI=1S/C9H8FNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12). The Canonical SMILES representation is C1CC(=O)NC2=C1C=CC(=C2)F.

Physical And Chemical Properties Analysis

The compound has a molecular weight of 165.16 g/mol. It has a topological polar surface area of 29.1 Ų. The compound has one hydrogen bond donor and two hydrogen bond acceptors. It has no rotatable bonds. The exact mass is 165.058992041 g/moland the monoisotopic mass is also 165.058992041 g/mol. The compound has a complexity of 195.

Scientific Research Applications

Excited State Hydrogen Atom Transfer in Solvent Wire Clusters

The compound 7-fluoro-3,4-dihydroquinolin-2(1H)-one has been studied in the context of excited-state hydrogen atom transfer (ESHAT) reactions along unidirectionally hydrogen-bonded solvent ‘wire’ clusters. These studies involve the aromatic ‘scaffold’ molecule 7-hydroxyquinoline, which forms solvent wires through hydrogen bonding, facilitating ESHAT reactions. The research delves into the reaction mechanisms and the role of solvent effects on these processes, offering insights into the complex dynamics of ESHAT in molecular systems (Manca, Tanner, & Leutwyler, 2005).

Fluorinated Liquid Crystals - Properties and Applications

The unique properties imparted by fluorine atoms in organic compounds have been extensively researched, particularly in the field of liquid crystals. Fluorinated liquid crystals exhibit fascinating modifications to their physical properties due to the presence of the fluoro substituent. This research provides a comprehensive overview of the influence of fluorination on liquid crystal materials, discussing their altered melting points, mesophase morphology, transition temperatures, and other critical physical properties. The diverse applications of these materials, especially in liquid crystal display technologies, are also explored (Hird, 2007).

Antibacterial Agents in Mediterranean Finfish Farming

In the context of Mediterranean finfish farming, the usage of antibacterial agents, including fluoroquinolones, has been reviewed to understand their pharmacokinetics, efficacy, and environmental impact. This research addresses the need for effective antibacterial dosing regimes and highlights the importance of prudent selection and use of antibacterials to enhance treatment efficacy while minimizing environmental contamination (Rigos & Troisi, 2005).

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