ChemSpider 2D Image | 2-Methyl-1-[3-(trifluoromethyl)-1-piperidinyl]-2-penten-1-one | C12H18F3NO

2-Methyl-1-[3-(trifluoromethyl)-1-piperidinyl]-2-penten-1-one

  • Molecular FormulaC12H18F3NO
  • Average mass249.273 Da
  • Monoisotopic mass249.134048 Da
  • ChemSpider ID35398354

More details:

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

2-Methyl-1-[3-(trifluormethyl)-1-piperidinyl]-2-penten-1-on [German] [ACD/IUPAC Name]
2-Methyl-1-[3-(trifluoromethyl)-1-piperidinyl]-2-penten-1-one [ACD/IUPAC Name]
2-Méthyl-1-[3-(trifluorométhyl)-1-pipéridinyl]-2-pentén-1-one [French] [ACD/IUPAC Name]
2-Penten-1-one, 2-methyl-1-[3-(trifluoromethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 317.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 145.7±26.5 °C
Index of Refraction: 1.446
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.91
ACD/KOC (pH 5.5): 905.67
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.91
ACD/KOC (pH 7.4): 905.67
Polar Surface Area: 20 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 221.3±3.0 cm3

Click to predict properties on the Chemicalize site


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