ChemSpider 2D Image | 3-(3-Amino-1H-1,2,4-triazol-1-yl)-1,1-difluoro-2-propanol | C5H8F2N4O

3-(3-Amino-1H-1,2,4-triazol-1-yl)-1,1-difluoro-2-propanol

  • Molecular FormulaC5H8F2N4O
  • Average mass178.140 Da
  • Monoisotopic mass178.066620 Da
  • ChemSpider ID61445942

More details:

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

1H-1,2,4-Triazole-1-ethanol, 3-amino-α-(difluoromethyl)- [ACD/Index Name]
3-(3-Amino-1H-1,2,4-triazol-1-yl)-1,1-difluor-2-propanol [German] [ACD/IUPAC Name]
3-(3-Amino-1H-1,2,4-triazol-1-yl)-1,1-difluoro-2-propanol [ACD/IUPAC Name]
3-(3-Amino-1H-1,2,4-triazol-1-yl)-1,1-difluoro-2-propanol [French] [ACD/IUPAC Name]
1861628-38-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 413.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.1±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 35.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.49
Polar Surface Area: 77 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 104.6±7.0 cm3

Click to predict properties on the Chemicalize site


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