ChemSpider 2D Image | 6,8-Difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylic acid | C17H20F3N3O3

6,8-Difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylic acid

  • Molecular FormulaC17H20F3N3O3
  • Average mass371.354 Da
  • Monoisotopic mass371.145691 Da
  • ChemSpider ID21112717

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Quinolinecarboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-1,2,3,4-tetrahydro-7-(4-methyl-1-piperazinyl)-4-oxo- [ACD/Index Name]
6,8-Difluor-1-(2-fluorethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-1,2,3,4-tetrahydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
6,8-Difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-1,2,3,4-tetrahydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
6,8-Difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
Acide 6,8-difluoro-1-(2-fluoroéthyl)-7-(4-méthyl-1-pipérazinyl)-4-oxo-1,2,3,4-tétrahydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
[79660-72-3]
MFCD00864880 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 577.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 270.8±3.0 cm3

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