2(1H)-Naphthalenone,5-fluoro-3,4-dihydro- (548771-68-2)

The 5-Fluoro-2-tetralone with cas registry number of 548771-68-2, is also called 2(1H)-naphthalenone, 5-fluoro-3,4-dihydro- ; 5-Fluoro-3,4-dihydronaphthalen-2(1H)-one .

Physical properties of 5-Fluoro-2-tetralone : (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 13.22; (7)ACD/KOC (pH 5.5): 220.87; (8)ACD/KOC (pH 7.4): 220.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Ų; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 43.16 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 17.11×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 51.15 kJ/mol; (19)Vapour Pressure: 0.00582 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:Fc1cccc2c1CCC(=O)C2; (2)InChI:InChI=1/C10H9FO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2; (3)InChIKey:DAHDFURQTOLYBB-UHFFFAOYAM; (4)Std. InChI:; (5)InChI=1S/C10H9FO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2; (6)Std. InChIKey:DAHDFURQTOLYBB-UHFFFAOYSA-N.