ChemSpider 2D Image | 3-[1-(1-Cyclopropyl-1H-tetrazol-5-yl)ethyl]-1-methyl-1-(3,3,3-trifluoropropyl)urea | C11H17F3N6O

3-[1-(1-Cyclopropyl-1H-tetrazol-5-yl)ethyl]-1-methyl-1-(3,3,3-trifluoropropyl)urea

  • Molecular FormulaC11H17F3N6O
  • Average mass306.288 Da
  • Monoisotopic mass306.141602 Da
  • ChemSpider ID65256101

More details:

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

3-[1-(1-Cyclopropyl-1H-tetrazol-5-yl)ethyl]-1-methyl-1-(3,3,3-trifluoropropyl)urea [ACD/IUPAC Name]
3-[1-(1-Cyclopropyl-1H-tétrazol-5-yl)éthyl]-1-méthyl-1-(3,3,3-trifluoropropyl)urée [French] [ACD/IUPAC Name]
3-[1-(1-Cyclopropyl-1H-tetrazol-5-yl)ethyl]-1-methyl-1-(3,3,3-trifluorpropyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N'-[1-(1-cyclopropyl-1H-tetrazol-5-yl)ethyl]-N-methyl-N-(3,3,3-trifluoropropyl)- [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: 504.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.15
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.15
Polar Surface Area: 76 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 202.8±7.0 cm3

Click to predict properties on the Chemicalize site


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