ChemSpider 2D Image | 3-{(5S)-3-Hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid | C26H15F6NO5

3-{(5S)-3-Hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid

  • Molecular FormulaC26H15F6NO5
  • Average mass535.391 Da
  • Monoisotopic mass535.085449 Da
  • ChemSpider ID35033597

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{(5S)-3-Hydroxy-2-oxo-4-[3-(trifluormethyl)benzoyl]-5-[3-(trifluormethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
3-{(5S)-3-Hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluorométhyl)benzoyl]-5-[3-(trifluorométhyl)phényl]-2,5-dihydro-1H-pyrrol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(5S)-2,5-dihydro-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-1-yl]- [ACD/Index 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: 613.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 8.74
ACD/KOC (pH 5.5): 32.42
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 347.5±3.0 cm3

Click to predict properties on the Chemicalize site


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