ChemSpider 2D Image | 1-(1-Methyl-1H-1,2,3-triazol-4-yl)-3-{[1-(2,2,2-trifluoroethyl)-2-pyrrolidinyl]methyl}urea | C11H17F3N6O

1-(1-Methyl-1H-1,2,3-triazol-4-yl)-3-{[1-(2,2,2-trifluoroethyl)-2-pyrrolidinyl]methyl}urea

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID71016450

More details:

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

1-(1-Methyl-1H-1,2,3-triazol-4-yl)-3-{[1-(2,2,2-trifluorethyl)-2-pyrrolidinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-(1-Methyl-1H-1,2,3-triazol-4-yl)-3-{[1-(2,2,2-trifluoroethyl)-2-pyrrolidinyl]methyl}urea [ACD/IUPAC Name]
1-(1-Méthyl-1H-1,2,3-triazol-4-yl)-3-{[1-(2,2,2-trifluoroéthyl)-2-pyrrolidinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-(1-methyl-1H-1,2,3-triazol-4-yl)-N'-[[1-(2,2,2-trifluoroethyl)-2-pyrrolidinyl]methyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 56.90
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 57.61
Polar Surface Area: 75 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 203.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement