ChemSpider 2D Image | [4-(2-Amino-1,1,1-trifluoro-3-methoxy-3-oxo-2-propanyl)-1H-1,2,3-triazol-1-yl]acetic acid | C8H9F3N4O4

[4-(2-Amino-1,1,1-trifluoro-3-methoxy-3-oxo-2-propanyl)-1H-1,2,3-triazol-1-yl]acetic acid

  • Molecular FormulaC8H9F3N4O4
  • Average mass282.177 Da
  • Monoisotopic mass282.057587 Da
  • ChemSpider ID81611925

More details:

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

[4-(2-Amino-1,1,1-trifluor-3-methoxy-3-oxo-2-propanyl)-1H-1,2,3-triazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-(2-Amino-1,1,1-trifluoro-3-methoxy-3-oxo-2-propanyl)-1H-1,2,3-triazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-1,4-diacetic acid, α4-amino-α4-(trifluoromethyl)-, 4-methyl ester [ACD/Index Name]
Acide [4-(2-amino-1,1,1-trifluoro-3-méthoxy-3-oxo-2-propanyl)-1H-1,2,3-triazol-1-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.8±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 166.9±7.0 cm3

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