ChemSpider 2D Image | 2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide | C26H28F3N3O4

2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide

  • Molecular FormulaC26H28F3N3O4
  • Average mass503.513 Da
  • Monoisotopic mass503.203186 Da
  • ChemSpider ID58937871

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-1-acetamide, 4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-α,α-dimethyl- [ACD/Index Name]
2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluormethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamid [German] [ACD/IUPAC Name]
2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide [ACD/IUPAC Name]
2-{4-[(9R)-9-Hydroxy-2-(3-hydroxy-3-méthylbutoxy)-9-(trifluorométhyl)-9H-fluorén-4-yl]-1H-pyrazol-1-yl}-2-méthylpropanamide [French] [ACD/IUPAC Name]
(R)-2-(4-(9-Hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl)-1H-pyrazol-1-yl)-2-methylpropanamide
1627957-25-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 191.14
ACD/KOC (pH 5.5): 1494.84
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 191.00
ACD/KOC (pH 7.4): 1493.73
Polar Surface Area: 111 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 373.9±7.0 cm3

Click to predict properties on the Chemicalize site


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