ChemSpider 2D Image | 8-[3-Isobutyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-1-yl]quinoline | C17H17F3N4

8-[3-Isobutyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-1-yl]quinoline

  • Molecular FormulaC17H17F3N4
  • Average mass334.339 Da
  • Monoisotopic mass334.140533 Da
  • ChemSpider ID29660584

More details:

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

8-[3-Isobutyl-5-(2,2,2-trifluorethyl)-1H-1,2,4-triazol-1-yl]chinolin [German] [ACD/IUPAC Name]
8-[3-Isobutyl-5-(2,2,2-trifluoroéthyl)-1H-1,2,4-triazol-1-yl]quinoléine [French] [ACD/IUPAC Name]
8-[3-Isobutyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-1-yl]quinoline [ACD/IUPAC Name]
Quinoline, 8-[3-(2-methylpropyl)-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-1-yl]- [ACD/Index 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: 465.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 450.64
ACD/KOC (pH 5.5): 2759.31
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.14
ACD/KOC (pH 7.4): 2768.50
Polar Surface Area: 44 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 258.0±7.0 cm3

Click to predict properties on the Chemicalize site


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