ChemSpider 2D Image | 2-[(1R,2S)-2-Hydroxycyclohexyl]-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}acetamide | C18H20F3NO2

2-[(1R,2S)-2-Hydroxycyclohexyl]-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}acetamide

  • Molecular FormulaC18H20F3NO2
  • Average mass339.352 Da
  • Monoisotopic mass339.144623 Da
  • ChemSpider ID60534288

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1R,2S)-2-Hydroxycyclohexyl]-N-{3-[4-(trifluormethyl)phenyl]-2-propin-1-yl}acetamid [German] [ACD/IUPAC Name]
2-[(1R,2S)-2-Hydroxycyclohexyl]-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}acetamide [ACD/IUPAC Name]
2-[(1R,2S)-2-Hydroxycyclohexyl]-N-{3-[4-(trifluorométhyl)phényl]-2-propyn-1-yl}acétamide [French] [ACD/IUPAC Name]
Cyclohexaneacetamide, 2-hydroxy-N-[3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl]-, (1R,2S)- [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: 500.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.3±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 253.78
ACD/KOC (pH 5.5): 1831.12
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 253.78
ACD/KOC (pH 7.4): 1831.12
Polar Surface Area: 49 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 269.5±5.0 cm3

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