3-Quinolinecarboxylicacid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo- (98106-17-3)

The CAS register number of Difloxacin is 98106-17-3. It also can be called as 3-quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo- and the IUPAC name about this chemical is 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid. The molecular formula about this chemical is C₂₁H₁₉F₂N₃O₃ and the molecular weight is 399.39. It belongs to the following product categories, such as Chiral Reagents; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals and so on. This chemical is a fluoroquinolone antibacterial structurally related to norfloxacin, it can be used in veterinary medicine.

Physical properties about Difloxacin are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 1.57; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 15.96; (7)ACD/KOC (pH 7.4): 21.28; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.09 Å²; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 100.74 cm³; (14)Molar Volume: 283.2 cm³; (15)Polarizability: 39.93x10^-24cm³; (16)Surface Tension: 57.6 dyne/cm; (17)Enthalpy of Vaporization: 93.32 kJ/mol; (18)Boiling Point: 595.5 °C at 760 mmHg; (19)Vapour Pressure: 5.01E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4
(2)InChI: InChI=1/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
(3)InChIKey: NOCJXYPHIIZEHN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
(5)Std. InChIKey: NOCJXYPHIIZEHN-UHFFFAOYSA-N