ChemSpider 2D Image | 2,3-Dihydroxy(~2~H_5_)propyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate | C20H12D5F3N2O4

2,3-Dihydroxy(2H5)propyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate

  • Molecular FormulaC20H12D5F3N2O4
  • Average mass411.386 Da
  • Monoisotopic mass411.145416 Da
  • ChemSpider ID48062911

  • Non-standard isotope - Non-standard isotope

More details:

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

2,3-Dihydroxy(2H5)propyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate [ACD/IUPAC Name]
2,3-Dihydroxy(2H5)propyl-2-{[8-(trifluormethyl)-4-chinolinyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{[8-(Trifluorométhyl)-4-quinoléinyl]amino}benzoate de 2,3-dihydroxy(2H5)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]-, 2,3-dihydroxypropyl-1,1,2,3,3-d5 ester [ACD/Index Name]
(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl) 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
1794884-17-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 311.9±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 114.37
ACD/KOC (pH 5.5): 964.82
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.91
ACD/KOC (pH 7.4): 1230.94
Polar Surface Area: 92 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

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