ChemSpider 2D Image | 4-Methyl-1-{[2-(trifluoromethyl)phenyl]acetyl}-4-piperidinecarbonitrile | C16H17F3N2O

4-Methyl-1-{[2-(trifluoromethyl)phenyl]acetyl}-4-piperidinecarbonitrile

  • Molecular FormulaC16H17F3N2O
  • Average mass310.314 Da
  • Monoisotopic mass310.129303 Da
  • ChemSpider ID35090386

More details:

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

4-Methyl-1-{[2-(trifluormethyl)phenyl]acetyl}-4-piperidincarbonitril [German] [ACD/IUPAC Name]
4-Methyl-1-{[2-(trifluoromethyl)phenyl]acetyl}-4-piperidinecarbonitrile [ACD/IUPAC Name]
4-Méthyl-1-{2-[2-(trifluorométhyl)phényl]acétyl}-4-pipéridinecarbonitrile [French] [ACD/IUPAC Name]
4-Piperidinecarbonitrile, 4-methyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]- [ACD/Index Name]
4-methyl-1-{[2-(trifluoromethyl)phenyl]acetyl}piperidine-4-carbonitrile
4-METHYL-1-{2-[2-(TRIFLUOROMETHYL)PHENYL]ACETYL}PIPERIDINE-4-CARBONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.2±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.21
ACD/KOC (pH 5.5): 1033.99
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.21
ACD/KOC (pH 7.4): 1033.99
Polar Surface Area: 44 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

Click to predict properties on the Chemicalize site


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