ChemSpider 2D Image | 5-(2-Amino-3,3-difluoropropyl)-1H-1,2,4-triazol-3-ol | C5H8F2N4O

5-(2-Amino-3,3-difluoropropyl)-1H-1,2,4-triazol-3-ol

  • Molecular FormulaC5H8F2N4O
  • Average mass178.140 Da
  • Monoisotopic mass178.066620 Da
  • ChemSpider ID113044917

More details:

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

1H-1,2,4-Triazol-3-ol, 5-(2-amino-3,3-difluoropropyl)- [ACD/Index Name]
5-(2-Amino-3,3-difluoropropyl)-1H-1,2,4-triazol-3-ol [ACD/IUPAC Name]
5-(2-Amino-3,3-difluoropropyl)-1H-1,2,4-triazol-3-ol [French] [ACD/IUPAC Name]
5-(2-Amino-3,3-difluorpropyl)-1H-1,2,4-triazol-3-ol [German] [ACD/IUPAC 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: 459.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 231.6±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.09
Polar Surface Area: 88 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 117.3±3.0 cm3

Click to predict properties on the Chemicalize site


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