ChemSpider 2D Image | N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-3-quinolinecarboxamide | C18H9F5N2O3

N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-3-quinolinecarboxamide

  • Molecular FormulaC18H9F5N2O3
  • Average mass396.268 Da
  • Monoisotopic mass396.053345 Da
  • ChemSpider ID21731178

More details:

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

3-Quinolinecarboxamide, N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(trifluoromethyl)- [ACD/Index Name]
N-(2,2-Difluor-1,3-benzodioxol-5-yl)-4-(trifluormethyl)-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-(trifluorométhyl)-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(2,2-Difluoro-1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-3-quinolinecarboxamide [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 398.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.8±27.9 °C
Index of Refraction: 1.614
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 402.44
ACD/KOC (pH 5.5): 2547.02
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 398.70
ACD/KOC (pH 7.4): 2523.32
Polar Surface Area: 60 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 248.4±5.0 cm3

Click to predict properties on the Chemicalize site


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