ChemSpider 2D Image | (R)-[2,8-Bis(trifluoromethyl)-4-quinolinyl][(2S)-(2,3,3,4,4,5,5,6,6-~2~H_9_)-2-piperidinyl]methanol | C17H7D9F6N2O

(R)-[2,8-Bis(trifluoromethyl)-4-quinolinyl][(2S)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl]methanol

  • Molecular FormulaC17H7D9F6N2O
  • Average mass387.368 Da
  • Monoisotopic mass387.173187 Da
  • ChemSpider ID78361994

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(R)-[2,8-Bis(trifluormethyl)-4-chinolinyl][(2S)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl]methanol [German] [ACD/IUPAC Name]
(R)-[2,8-Bis(trifluorométhyl)-4-quinoléinyl][(2S)-(2,3,3,4,4,5,5,6,6-2H9)-2-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
(R)-[2,8-Bis(trifluoromethyl)-4-quinolinyl][(2S)-(2,3,3,4,4,5,5,6,6-2H9)-2-piperidinyl]methanol [ACD/IUPAC Name]
4-Quinolinemethanol, α-[(2S)-2-piperidinyl-2,3,3,4,4,5,5,6,6-d9]-2,8-bis(trifluoromethyl)-, (αR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 415.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.2±27.3 °C
Index of Refraction: 1.519
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.33
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 2.95
ACD/KOC (pH 7.4): 24.42
Polar Surface Area: 45 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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