ChemSpider 2D Image | 5-(Allylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrazinecarboxamide | C15H12ClF3N4O

5-(Allylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrazinecarboxamide

  • Molecular FormulaC15H12ClF3N4O
  • Average mass356.730 Da
  • Monoisotopic mass356.065186 Da
  • ChemSpider ID46732219

More details:

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

2-Pyrazinecarboxamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-propen-1-ylamino)- [ACD/Index Name]
5-(Allylamino)-N-[4-chlor-3-(trifluormethyl)phenyl]-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
5-(Allylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrazinecarboxamide [ACD/IUPAC Name]
5-(Allylamino)-N-[4-chloro-3-(trifluorométhyl)phényl]-2-pyrazinecarboxamide [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: 399.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.3±27.9 °C
Index of Refraction: 1.606
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.09
ACD/KOC (pH 5.5): 3382.10
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 591.76
ACD/KOC (pH 7.4): 3346.27
Polar Surface Area: 67 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

Click to predict properties on the Chemicalize site


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