ChemSpider 2D Image | 8-{4-[({2-Hydroxy-4-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl}carbonyl)amino]phenoxy}octanoic acid | C26H27F3N2O6

8-{4-[({2-Hydroxy-4-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl}carbonyl)amino]phenoxy}octanoic acid

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID8294346

More details:

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

8-{4-[({2-Hydroxy-4-oxo-1-[4-(trifluormethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl}carbonyl)amino]phenoxy}octansäure [German] [ACD/IUPAC Name]
8-{4-[({2-Hydroxy-4-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl}carbonyl)amino]phenoxy}octanoic acid [ACD/IUPAC Name]
Acide 8-{4-[({2-hydroxy-4-oxo-1-[4-(trifluorométhyl)phényl]-4,5-dihydro-1H-pyrrol-3-yl}carbonyl)amino]phénoxy}octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 8-[4-[[[4,5-dihydro-2-hydroxy-4-oxo-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]carbonyl]amino]phenoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 16.97
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 373.0±3.0 cm3

Click to predict properties on the Chemicalize site


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