ChemSpider 2D Image | N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(S)-(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide | C18H14F4N2O3S

N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(S)-(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID58781233

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-[4-Cyan-3-(trifluormethyl)phenyl]-3-[(S)-(4-fluorphenyl)sulfinyl]-2-hydroxy-2-methylpropanamid [German] [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(S)-(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluorométhyl)phényl]-3-[(S)-(4-fluorophényl)sulfinyl]-2-hydroxy-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(S)-(4-fluorophenyl)sulfinyl]-2-hydroxy-2-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.0±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.41
ACD/KOC (pH 5.5): 1067.46
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.40
ACD/KOC (pH 7.4): 1067.39
Polar Surface Area: 109 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


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