ChemSpider 2D Image | [3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]acetic acid | C8H9F3N4O2

[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]acetic acid

  • Molecular FormulaC8H9F3N4O2
  • Average mass250.178 Da
  • Monoisotopic mass250.067764 Da
  • ChemSpider ID46369342

More details:

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

[3-(Trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]essigsäure [German] [ACD/IUPAC Name]
[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]acetic acid [ACD/IUPAC Name]
1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-acetic acid, 5,6-dihydro-3-(trifluoromethyl)- [ACD/Index Name]
Acide [3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-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: 388.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 188.9±30.7 °C
Index of Refraction: 1.613
Molar Refractivity: 50.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 144.1±7.0 cm3

Click to predict properties on the Chemicalize site


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