ChemSpider 2D Image | 4-Chloro-N-methyl-N-[2-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide | C14H12ClF3N2O

4-Chloro-N-methyl-N-[2-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC14H12ClF3N2O
  • Average mass316.706 Da
  • Monoisotopic mass316.059021 Da
  • ChemSpider ID32061923

More details:

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

1H-Pyrrole-2-carboxamide, 4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-Chlor-N-methyl-N-[2-(trifluormethyl)benzyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Chloro-N-methyl-N-[2-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Chloro-N-méthyl-N-[2-(trifluorométhyl)benzyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-CHLORO-N-METHYL-N-{[2-(TRIFLUOROMETHYL)PHENYL]METHYL}-1H-PYRROLE-2-CARBOXAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 452.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.3±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.79
ACD/KOC (pH 5.5): 1332.56
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.79
ACD/KOC (pH 7.4): 1332.56
Polar Surface Area: 36 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 229.2±3.0 cm3

Click to predict properties on the Chemicalize site


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