ChemSpider 2D Image | [2-(4-Ethoxyphenyl)-1-pyrrolidinyl][5-methyl-5'-(trifluoromethyl)-1'H-1,3'-bi-1,2,4-triazol-3-yl]methanone | C19H20F3N7O2

[2-(4-Ethoxyphenyl)-1-pyrrolidinyl][5-methyl-5'-(trifluoromethyl)-1'H-1,3'-bi-1,2,4-triazol-3-yl]methanone

  • Molecular FormulaC19H20F3N7O2
  • Average mass435.403 Da
  • Monoisotopic mass435.163055 Da
  • ChemSpider ID31420011

More details:

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

[2-(4-Ethoxyphenyl)-1-pyrrolidinyl][5-methyl-5'-(trifluormethyl)-1'H-1,3'-bi-1,2,4-triazol-3-yl]methanon [German] [ACD/IUPAC Name]
[2-(4-Ethoxyphenyl)-1-pyrrolidinyl][5-methyl-5'-(trifluoromethyl)-1'H-1,3'-bi-1,2,4-triazol-3-yl]methanone [ACD/IUPAC Name]
[2-(4-Éthoxyphényl)-1-pyrrolidinyl][5-méthyl-5'-(trifluorométhyl)-1'H-1,3'-bi-1,2,4-triazol-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(4-ethoxyphenyl)-1-pyrrolidinyl][5-methyl-1-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 606.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.8±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 105.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 138.78
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.13
Polar Surface Area: 102 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 285.4±7.0 cm3

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