ChemSpider 2D Image | 8-{[3-(Trifluoromethyl)-1-piperidinyl]methyl}-7-isoquinolinol | C16H17F3N2O

8-{[3-(Trifluoromethyl)-1-piperidinyl]methyl}-7-isoquinolinol

  • Molecular FormulaC16H17F3N2O
  • Average mass310.314 Da
  • Monoisotopic mass310.129303 Da
  • ChemSpider ID22359458

More details:

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

7-Isoquinolinol, 8-[[3-(trifluoromethyl)-1-piperidinyl]methyl]- [ACD/Index Name]
8-{[3-(Trifluormethyl)-1-piperidinyl]methyl}-7-isochinolinol [German] [ACD/IUPAC Name]
8-{[3-(Trifluorométhyl)-1-pipéridinyl]méthyl}-7-isoquinoléinol [French] [ACD/IUPAC Name]
8-{[3-(Trifluoromethyl)-1-piperidinyl]methyl}-7-isoquinolinol [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 201.4±27.3 °C
Index of Refraction: 1.583
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 41.73
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 43.60
ACD/KOC (pH 7.4): 494.02
Polar Surface Area: 36 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 234.7±3.0 cm3

Click to predict properties on the Chemicalize site


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