ChemSpider 2D Image | [1-(2,6-Difluorobenzyl)-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-methylbutyl)-1-piperidinyl]methanone | C20H26F2N4O2

[1-(2,6-Difluorobenzyl)-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-methylbutyl)-1-piperidinyl]methanone

  • Molecular FormulaC20H26F2N4O2
  • Average mass392.443 Da
  • Monoisotopic mass392.202393 Da
  • ChemSpider ID23052820

More details:

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

[1-(2,6-Difluorbenzyl)-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-methylbutyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[1-(2,6-Difluorobenzyl)-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-methylbutyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[1-(2,6-Difluorobenzyl)-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-méthylbutyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[(2,6-difluorophenyl)methyl]-1H-1,2,3-triazol-4-yl][4-(1-hydroxy-3-methylbutyl)-1-piperidinyl]- [ACD/Index Name]
1-(1-{[1-(2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinyl)-3-methyl-1-butanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.5±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.07
ACD/KOC (pH 5.5): 318.79
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.07
ACD/KOC (pH 7.4): 318.79
Polar Surface Area: 71 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 298.5±7.0 cm3

Click to predict properties on the Chemicalize site


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