ChemSpider 2D Image | (2S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide | C12H9F3N2O2

(2S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID19569778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-[4-Cyan-3-(trifluormethyl)phenyl]-2-methyl-2-oxirancarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide [ACD/IUPAC Name]
(2S)-N-[4-Cyano-3-(trifluorométhyl)phényl]-2-méthyl-2-oxiranecarboxamide [French] [ACD/IUPAC Name]
2-Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 436.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±0.0 kJ/mol
Flash Point: 217.7±0.0 °C
Index of Refraction: 1.525
Molar Refractivity: 58.3±0.0 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.98
ACD/KOC (pH 5.5): 513.67
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.98
ACD/KOC (pH 7.4): 513.66
Polar Surface Area: 65 Å2
Polarizability: 23.1±0.0 10-24cm3
Surface Tension: 45.8±0.0 dyne/cm
Molar Volume: 190.0±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement