ChemSpider 2D Image | 10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione | C16H13F6N5O2

10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione

  • Molecular FormulaC16H13F6N5O2
  • Average mass421.297 Da
  • Monoisotopic mass421.097351 Da
  • ChemSpider ID58785111

More details:

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

1,2,4-Triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione, 6,7,10,11-tetrahydro-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]- [ACD/Index Name]
10-(2,4,5-Trifluorbenzyl)-3-(trifluormethyl)-6,7,10,11-tetrahydro[1,2,4]triazolo[3,4-c][1,4,7]triazecin-8,12(5H,9H)-dion [German] [ACD/IUPAC Name]
10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione [ACD/IUPAC Name]
10-(2,4,5-Trifluorobenzyl)-3-(trifluorométhyl)-6,7,10,11-tétrahydro[1,2,4]triazolo[3,4-c][1,4,7]triazécine-8,12(5H,9H)-dione [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 81.07
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 81.06
Polar Surface Area: 89 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 251.5±7.0 cm3

Click to predict properties on the Chemicalize site


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