ChemSpider 2D Image | 5-(Difluoromethyl)-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid | C8H7F5N4O3

5-(Difluoromethyl)-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC8H7F5N4O3
  • Average mass302.158 Da
  • Monoisotopic mass302.043823 Da
  • ChemSpider ID51476772

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 5-(difluoromethyl)-1-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]- [ACD/Index Name]
5-(Difluormethyl)-1-{2-oxo-2-[(2,2,2-trifluorethyl)amino]ethyl}-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(Difluoromethyl)-1-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-(difluorométhyl)-1-{2-oxo-2-[(2,2,2-trifluoroéthyl)amino]éthyl}-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 52.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 169.6±7.0 cm3

Click to predict properties on the Chemicalize site


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