ChemSpider 2D Image | 1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-(isobutylamino)ethanol | C17H18F6N2O

1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-(isobutylamino)ethanol

  • Molecular FormulaC17H18F6N2O
  • Average mass380.328 Da
  • Monoisotopic mass380.132324 Da
  • ChemSpider ID13224783

More details:

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

1-[2,8-Bis(trifluormethyl)-4-chinolinyl]-2-(isobutylamino)ethanol [German] [ACD/IUPAC Name]
1-[2,8-Bis(trifluorométhyl)-4-quinoléinyl]-2-(isobutylamino)éthanol [French] [ACD/IUPAC Name]
1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-(isobutylamino)ethanol [ACD/IUPAC Name]
4-Quinolinemethanol, α-[[(2-methylpropyl)amino]methyl]-2,8-bis(trifluoromethyl)- [ACD/Index Name]
WR-308607

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.3±27.3 °C
Index of Refraction: 1.500
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 13.30
ACD/KOC (pH 7.4): 90.44
Polar Surface Area: 45 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

Click to predict properties on the Chemicalize site


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