ChemSpider 2D Image | Methyl 5-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]-1H-1,2,4-triazole-3-carboxylate | C8H9F3N4O4

Methyl 5-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC8H9F3N4O4
  • Average mass282.177 Da
  • Monoisotopic mass282.057587 Da
  • ChemSpider ID127515250

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 5-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]-, methyl ester [ACD/Index Name]
5-[(3,3,3-Trifluoro-2-hydroxy-2-méthylpropanoyl)amino]-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-[(3,3,3-trifluor-2-hydroxy-2-methylpropanoyl)amino]-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 57.15
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.28
Polar Surface Area: 117 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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