ChemSpider 2D Image | 2-[4-({[1-(3,4-Dimethylphenyl)-1H-1,2,3-triazol-4-yl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol | C20H18F6N4O

2-[4-({[1-(3,4-Dimethylphenyl)-1H-1,2,3-triazol-4-yl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol

  • Molecular FormulaC20H18F6N4O
  • Average mass444.374 Da
  • Monoisotopic mass444.138489 Da
  • ChemSpider ID129196734

More details:

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

2-[4-({[1-(3,4-Dimethylphenyl)-1H-1,2,3-triazol-4-yl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-[4-({[1-(3,4-Dimethylphenyl)-1H-1,2,3-triazol-4-yl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-[4-({[1-(3,4-Diméthylphényl)-1H-1,2,3-triazol-4-yl]méthyl}amino)phényl]-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[[[1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methyl]amino]-α,α-bis(trifluoromethyl)- [ACD/Index 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: 546.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1015.12
ACD/KOC (pH 5.5): 4939.09
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1006.20
ACD/KOC (pH 7.4): 4895.70
Polar Surface Area: 63 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 322.7±7.0 cm3

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