ChemSpider 2D Image | N~2~,N~2~-Diethyl-N~4~-(2-fluorobenzyl)-N~6~-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine | C21H22F4N6O

N2,N2-Diethyl-N4-(2-fluorobenzyl)-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID124567812

More details:

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

1,3,5-Triazine-2,4,6-triamine, N2,N2-diethyl-N4-[(2-fluorophenyl)methyl]-N6-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
N2,N2-Diethyl-N4-(2-fluorbenzyl)-N6-[4-(trifluormethoxy)phenyl]-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]
N2,N2-Diethyl-N4-(2-fluorobenzyl)-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2,N2-Diéthyl-N4-(2-fluorobenzyl)-N6-[4-(trifluorométhoxy)phényl]-1,3,5-triazine-2,4,6-triamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1935.73
ACD/KOC (pH 5.5): 7215.53
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2581.33
ACD/KOC (pH 7.4): 9622.02
Polar Surface Area: 75 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 330.9±3.0 cm3

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