ChemSpider 2D Image | 2-({4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1-piperazinyl}methyl)benzonitrile | C19H20F3N5

2-({4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1-piperazinyl}methyl)benzonitrile

  • Molecular FormulaC19H20F3N5
  • Average mass375.391 Da
  • Monoisotopic mass375.167084 Da
  • ChemSpider ID29565458

More details:






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

2-({4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1-piperazinyl}methyl)benzonitrile [ACD/IUPAC Name]
2-({4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1-pipérazinyl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
2-({4-[4-(3,3,3-Trifluorpropyl)-2-pyrimidinyl]-1-piperazinyl}methyl)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[[4-[4-(3,3,3-trifluoropropyl)-2-pyrimidinyl]-1-piperazinyl]methyl]- [ACD/Index Name]
2-({4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl}methyl)benzonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 488.1±55.0 °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: 249.0±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 47.63
ACD/KOC (pH 5.5): 415.52
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 127.50
ACD/KOC (pH 7.4): 1112.27
Polar Surface Area: 56 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 285.2±5.0 cm3

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