ChemSpider 2D Image | 2,2-Difluoro-1-[5-(hydroxymethyl)-1,2,3-triazolidin-4-yl]ethanone | C5H9F2N3O2

2,2-Difluoro-1-[5-(hydroxymethyl)-1,2,3-triazolidin-4-yl]ethanone

  • Molecular FormulaC5H9F2N3O2
  • Average mass181.141 Da
  • Monoisotopic mass181.066284 Da
  • ChemSpider ID61482187

More details:

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

2,2-Difluor-1-[5-(hydroxymethyl)-1,2,3-triazolidin-4-yl]ethanon [German] [ACD/IUPAC Name]
2,2-Difluoro-1-[5-(hydroxymethyl)-1,2,3-triazolidin-4-yl]ethanone [ACD/IUPAC Name]
2,2-Difluoro-1-[5-(hydroxyméthyl)-1,2,3-triazolidin-4-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2-difluoro-1-[5-(hydroxymethyl)-1,2,3-triazolidin-4-yl]- [ACD/Index Name]
1934973-24-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 292.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.7±6.0 kJ/mol
Flash Point: 130.5±30.1 °C
Index of Refraction: 1.421
Molar Refractivity: 35.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.84
Polar Surface Area: 73 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 137.9±3.0 cm3

Click to predict properties on the Chemicalize site


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