ChemSpider 2D Image | 6,8-Difluoro-7-[(2-methyl-2-propanyl)amino]-4-oxo-1-[4-(trifluoromethyl)benzyl]-1,4-dihydro-3-quinolinecarboxylic acid | C22H19F5N2O3

6,8-Difluoro-7-[(2-methyl-2-propanyl)amino]-4-oxo-1-[4-(trifluoromethyl)benzyl]-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID26343838

More details:

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

3-Quinolinecarboxylic acid, 7-[(1,1-dimethylethyl)amino]-6,8-difluoro-1,4-dihydro-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
6,8-Difluor-7-[(2-methyl-2-propanyl)amino]-4-oxo-1-[4-(trifluormethyl)benzyl]-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
6,8-Difluoro-7-[(2-methyl-2-propanyl)amino]-4-oxo-1-[4-(trifluoromethyl)benzyl]-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 6,8-difluoro-7-[(2-méthyl-2-propanyl)amino]-4-oxo-1-[4-(trifluorométhyl)benzyl]-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1279.88
ACD/KOC (pH 5.5): 4545.06
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 28.34
ACD/KOC (pH 7.4): 100.63
Polar Surface Area: 70 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 316.6±3.0 cm3

Click to predict properties on the Chemicalize site


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