ChemSpider 2D Image | 2-(Tetrahydro-2H-pyran-4-yl)-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}propanamide | C18H20F3NO2

2-(Tetrahydro-2H-pyran-4-yl)-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}propanamide

  • Molecular FormulaC18H20F3NO2
  • Average mass339.352 Da
  • Monoisotopic mass339.144623 Da
  • ChemSpider ID30391457

More details:

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

2-(Tetrahydro-2H-pyran-4-yl)-N-{3-[4-(trifluormethyl)phenyl]-2-propin-1-yl}propanamid [German] [ACD/IUPAC Name]
2-(Tetrahydro-2H-pyran-4-yl)-N-{3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl}propanamide [ACD/IUPAC Name]
2-(Tétrahydro-2H-pyran-4-yl)-N-{3-[4-(trifluorométhyl)phényl]-2-propyn-1-yl}propanamide [French] [ACD/IUPAC Name]
2H-Pyran-4-acetamide, tetrahydro-α-methyl-N-[3-[4-(trifluoromethyl)phenyl]-2-propyn-1-yl]- [ACD/Index Name]
2-(OXAN-4-YL)-N-{3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-YN-1-YL}PROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.83
ACD/KOC (pH 5.5): 1800.29
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.83
ACD/KOC (pH 7.4): 1800.30
Polar Surface Area: 38 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 278.3±5.0 cm3

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