ChemSpider 2D Image | (2E)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)(~2~H_4_)phenyl]-2-butenamide | C12H5D4F3N2O2

(2E)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)(2H4)phenyl]-2-butenamide

  • Molecular FormulaC12H5D4F3N2O2
  • Average mass274.232 Da
  • Monoisotopic mass274.086731 Da
  • ChemSpider ID28578705

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-Cyan-3-hydroxy-N-[4-(trifluormethyl)(2H4)phenyl]-2-butenamid [German] [ACD/IUPAC Name]
(2E)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)(2H4)phenyl]-2-butenamide [ACD/IUPAC Name]
(2E)-2-Cyano-3-hydroxy-N-[4-(trifluorométhyl)(2H4)phényl]-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl-2,3,5,6-d4]-, (2E)- [ACD/Index Name]
1185240-22-5 [RN]
A77 1726-D4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 410.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.3±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 66.87
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 73 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 189.7±3.0 cm3

Click to predict properties on the Chemicalize site


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