ChemSpider 2D Image | 2-{4-[2-Fluoro-9-hydroxy-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-(hydroxymethyl)-1,3-propanediol | C21H18F4N2O4

2-{4-[2-Fluoro-9-hydroxy-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-(hydroxymethyl)-1,3-propanediol

  • Molecular FormulaC21H18F4N2O4
  • Average mass438.372 Da
  • Monoisotopic mass438.120270 Da
  • ChemSpider ID58913658

More details:

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

1,3-Propanediol, 2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl]-2-(hydroxymethyl)- [ACD/Index Name]
2-{4-[2-Fluor-9-hydroxy-9-(trifluormethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-(hydroxymethyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-{4-[2-Fluoro-9-hydroxy-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-(hydroxymethyl)-1,3-propanediol [ACD/IUPAC Name]
2-{4-[2-Fluoro-9-hydroxy-9-(trifluorométhyl)-9H-fluorén-4-yl]-1H-pyrazol-1-yl}-2-(hydroxyméthyl)-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 746.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.4±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.38
ACD/KOC (pH 5.5): 446.88
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.33
ACD/KOC (pH 7.4): 446.33
Polar Surface Area: 99 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 288.7±7.0 cm3

Click to predict properties on the Chemicalize site


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