ChemSpider 2D Image | [1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}methanone | C19H20F6N4O

[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}methanone

  • Molecular FormulaC19H20F6N4O
  • Average mass434.379 Da
  • Monoisotopic mass434.154144 Da
  • ChemSpider ID70756301

More details:

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

[1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-yl]{4-[4-(trifluormethyl)benzyl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
[1-Méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl]{4-[4-(trifluorométhyl)benzyl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [hexahydro-4-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepin-1-yl][1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]- [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: 487.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.27
ACD/KOC (pH 5.5): 61.26
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.97
ACD/KOC (pH 7.4): 499.72
Polar Surface Area: 41 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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