ChemSpider 2D Image | N-(3-Fluorobenzyl)-N'-(3-methylbutyl)-6-(pentafluorophenoxy)-1,3,5-triazine-2,4-diamine | C21H19F6N5O

N-(3-Fluorobenzyl)-N'-(3-methylbutyl)-6-(pentafluorophenoxy)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC21H19F6N5O
  • Average mass471.399 Da
  • Monoisotopic mass471.149384 Da
  • ChemSpider ID90643937

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[(3-fluorophenyl)methyl]-N4-(3-methylbutyl)-6-(2,3,4,5,6-pentafluorophenoxy)- [ACD/Index Name]
N-(3-Fluorbenzyl)-N'-(3-methylbutyl)-6-(pentafluorphenoxy)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N'-(3-methylbutyl)-6-(pentafluorophenoxy)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-N'-(3-méthylbutyl)-6-(pentafluorophénoxy)-1,3,5-triazine-2,4-diamine [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: 537.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4130.22
ACD/KOC (pH 5.5): 13454.00
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4165.25
ACD/KOC (pH 7.4): 13568.11
Polar Surface Area: 72 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

Click to predict properties on the Chemicalize site


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