ChemSpider 2D Image | 4-Methyl-1-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}-1,2-pentanedione | C19H22F3NO3

4-Methyl-1-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}-1,2-pentanedione

  • Molecular FormulaC19H22F3NO3
  • Average mass369.378 Da
  • Monoisotopic mass369.155182 Da
  • ChemSpider ID29734272

More details:

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

1,2-Pentanedione, 4-methyl-1-[3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl]- [ACD/Index Name]
4-Methyl-1-{3-[3-(trifluormethyl)benzoyl]-1-piperidinyl}-1,2-pentandion [German] [ACD/IUPAC Name]
4-Methyl-1-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}-1,2-pentanedione [ACD/IUPAC Name]
4-Méthyl-1-{3-[3-(trifluorométhyl)benzoyl]-1-pipéridinyl}-1,2-pentanedione [French] [ACD/IUPAC Name]
4-methyl-1-oxo-1-{3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl}pentan-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.2±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.29
ACD/KOC (pH 5.5): 1323.77
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.29
ACD/KOC (pH 7.4): 1323.77
Polar Surface Area: 54 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 302.8±3.0 cm3

Click to predict properties on the Chemicalize site


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