ChemSpider 2D Image | [5-(5-Fluoro-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]methanone | C19H17F2N7O

[5-(5-Fluoro-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]methanone

  • Molecular FormulaC19H17F2N7O
  • Average mass397.381 Da
  • Monoisotopic mass397.146271 Da
  • ChemSpider ID58903956

More details:

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

[5-(5-Fluor-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluor-6-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[5-(5-Fluoro-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
[5-(5-Fluoro-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluoro-6-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(5-fluoro-2-pyrimidinyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl][2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 656.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.7±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 102.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 102.75
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 105.12
Polar Surface Area: 80 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

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