ChemSpider 2D Image | N-[(1S)-1-Cyano-2,2,2-trifluoro-1-phenylethyl]-2-methyl-2-propanesulfinamide | C13H15F3N2OS

N-[(1S)-1-Cyano-2,2,2-trifluoro-1-phenylethyl]-2-methyl-2-propanesulfinamide

  • Molecular FormulaC13H15F3N2OS
  • Average mass304.331 Da
  • Monoisotopic mass304.085724 Da
  • ChemSpider ID21199872

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Propanesulfinamide, N-[(1S)-1-cyano-2,2,2-trifluoro-1-phenylethyl]-2-methyl- [ACD/Index Name]
N-[(1S)-1-Cyan-2,2,2-trifluor-1-phenylethyl]-2-methyl-2-propansulfinamid [German] [ACD/IUPAC Name]
N-[(1S)-1-Cyano-2,2,2-trifluoro-1-phenylethyl]-2-methyl-2-propanesulfinamide [ACD/IUPAC Name]
N-[(1S)-1-Cyano-2,2,2-trifluoro-1-phényléthyl]-2-méthyl-2-propanesulfinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 370.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.0±30.7 °C
Index of Refraction: 1.522
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 7.78
ACD/KOC (pH 5.5): 52.39
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 22.18
Polar Surface Area: 72 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 233.8±3.0 cm3

Click to predict properties on the Chemicalize site


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