ChemSpider 2D Image | (1S)-1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-(octylamino)ethanol | C21H26F6N2O

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

  • Molecular FormulaC21H26F6N2O
  • Average mass436.434 Da
  • Monoisotopic mass436.194946 Da
  • ChemSpider ID34525374

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-[2,8-Bis(trifluormethyl)-4-chinolinyl]-2-(octylamino)ethanol [German] [ACD/IUPAC Name]
(1S)-1-[2,8-Bis(trifluorométhyl)-4-quinoléinyl]-2-(octylamino)éthanol [French] [ACD/IUPAC Name]
(1S)-1-[2,8-Bis(trifluoromethyl)-4-quinolinyl]-2-(octylamino)ethanol [ACD/IUPAC Name]
4-Quinolinemethanol, α-[(octylamino)methyl]-2,8-bis(trifluoromethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 38.06
ACD/KOC (pH 5.5): 75.01
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1418.64
ACD/KOC (pH 7.4): 2796.33
Polar Surface Area: 45 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 355.7±3.0 cm3

Click to predict properties on the Chemicalize site


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