ChemSpider 2D Image | (2R)-3-{[4-Cyano(~2~H_4_)phenyl]oxy}-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide | C19H10D4F3N3O3

(2R)-3-{[4-Cyano(2H4)phenyl]oxy}-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC19H10D4F3N3O3
  • Average mass393.353 Da
  • Monoisotopic mass393.123840 Da
  • ChemSpider ID111312946

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-3-{[4-Cyan(2H4)phenyl]oxy}-N-[4-cyan-3-(trifluormethyl)phenyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
(2R)-3-{[4-Cyano(2H4)phenyl]oxy}-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
(2R)-3-{[4-Cyano(2H4)phényl]oxy}-N-[4-cyano-3-(trifluorométhyl)phényl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(4-cyanophenyl-2,3,5,6-d4)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-, (2R)- [ACD/Index 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: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.37
ACD/KOC (pH 5.5): 2551.33
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 403.36
ACD/KOC (pH 7.4): 2551.26
Polar Surface Area: 106 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 274.5±5.0 cm3

Click to predict properties on the Chemicalize site


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