ChemSpider 2D Image | (2R)-2-[(S)-[2,8-Bis(trifluoromethyl)-4-quinolinyl](hydroxy)methyl]piperidinium | C17H17F6N2O

(2R)-2-[(S)-[2,8-Bis(trifluoromethyl)-4-quinolinyl](hydroxy)methyl]piperidinium

  • Molecular FormulaC17H17F6N2O
  • Average mass379.320 Da
  • Monoisotopic mass379.123962 Da
  • ChemSpider ID21258598

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(S)-[2,8-Bis(trifluormethyl)-4-chinolinyl](hydroxy)methyl]piperidinium [German] [ACD/IUPAC Name]
(2R)-2-[(S)-[2,8-Bis(trifluorométhyl)-4-quinoléinyl](hydroxy)méthyl]pipéridinium [French] [ACD/IUPAC Name]
(2R)-2-[(S)-[2,8-Bis(trifluoromethyl)-4-quinolinyl](hydroxy)methyl]piperidinium [ACD/IUPAC Name]
4-Quinolinemethanol, α-[(2R)-2-piperidinyl]-2,8-bis(trifluoromethyl)-, conjugate monoacid, (αS)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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: 50 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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