ChemSpider 2D Image | 1-[2-(Difluoromethoxy)benzyl]-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,5-pyrrolidinedione | C17H17F2N3O3

1-[2-(Difluoromethoxy)benzyl]-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,5-pyrrolidinedione

  • Molecular FormulaC17H17F2N3O3
  • Average mass349.332 Da
  • Monoisotopic mass349.123810 Da
  • ChemSpider ID30454819

More details:






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

1-[2-(Difluormethoxy)benzyl]-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-[2-(Difluoromethoxy)benzyl]-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-[2-(Difluorométhoxy)benzyl]-3-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(1-methyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.6±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 109.22
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.95
ACD/KOC (pH 7.4): 109.28
Polar Surface Area: 64 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 253.0±7.0 cm3

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