ChemSpider 2D Image | 6-(Trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}-2-quinoxalinecarboxylic acid | C18H11F6N3O2

6-(Trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}-2-quinoxalinecarboxylic acid

  • Molecular FormulaC18H11F6N3O2
  • Average mass415.289 Da
  • Monoisotopic mass415.075531 Da
  • ChemSpider ID35034659

More details:






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

2-Quinoxalinecarboxylic acid, 6-(trifluoromethyl)-3-[[[4-(trifluoromethyl)phenyl]methyl]amino]- [ACD/Index Name]
6-(Trifluormethyl)-3-{[4-(trifluormethyl)benzyl]amino}-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
6-(Trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
6-(Trifluoromethyl)-3-{[4-(Trifluoromethyl)benzyl]amino}quinoxaline-2-Carboxylic Acid
Acide 6-(trifluorométhyl)-3-{[4-(trifluorométhyl)benzyl]amino}-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
Y22

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

Density: 1.5±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 50.99
ACD/KOC (pH 5.5): 116.92
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 10.66
ACD/KOC (pH 7.4): 24.44
Polar Surface Area: 75 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 269.7±3.0 cm3

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