ChemSpider 2D Image | 4-[4-(3,5-Difluorobenzyl)-3-methyl-1-piperazinyl]-6-(trifluoromethyl)pyrimidine | C17H17F5N4

4-[4-(3,5-Difluorobenzyl)-3-methyl-1-piperazinyl]-6-(trifluoromethyl)pyrimidine

  • Molecular FormulaC17H17F5N4
  • Average mass372.336 Da
  • Monoisotopic mass372.137329 Da
  • ChemSpider ID114927206

More details:

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

4-[4-(3,5-Difluorbenzyl)-3-methyl-1-piperazinyl]-6-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
4-[4-(3,5-Difluorobenzyl)-3-methyl-1-piperazinyl]-6-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
4-[4-(3,5-Difluorobenzyl)-3-méthyl-1-pipérazinyl]-6-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[(3,5-difluorophenyl)methyl]-3-methyl-1-piperazinyl]-6-(trifluoromethyl)- [ACD/Index Name]
2742055-42-9 [RN]
4-[4-[(3,5-Difluorophenyl)methyl]-3-methylpiperazin-1-yl]-6-(trifluoromethyl)pyrimidine
4-{4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl}-6-(trifluoromethyl)pyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 416.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.4±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 44.82
ACD/KOC (pH 5.5): 313.00
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 266.65
ACD/KOC (pH 7.4): 1862.18
Polar Surface Area: 32 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

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