ChemSpider 2D Image | 4,4,4-Trifluoro-2-{[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}butanoic acid | C14H11F3N2O5

4,4,4-Trifluoro-2-{[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}butanoic acid

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID57812530

More details:






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

4,4,4-Trifluor-2-{[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}butansäure [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-2-{[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4,4,4-trifluoro-2-{[(2-méthyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)carbonyl]amino]-4,4,4-trifluoro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

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