ChemSpider 2D Image | 3-Nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide | C16H13F3N2O3

3-Nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide

  • Molecular FormulaC16H13F3N2O3
  • Average mass338.281 Da
  • Monoisotopic mass338.087830 Da
  • ChemSpider ID34253811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Nitro-N-[(1R)-1-phenylethyl]-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
3-Nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
3-Nitro-N-[(1R)-1-phényléthyl]-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)- [ACD/Index 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: 421.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.7±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 456.66
ACD/KOC (pH 5.5): 2788.29
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 456.66
ACD/KOC (pH 7.4): 2788.28
Polar Surface Area: 75 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

Click to predict properties on the Chemicalize site


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