ChemSpider 2D Image | 2-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4,4,4-trifluorobutanoic acid | C14H11F3N2O5

2-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4,4,4-trifluorobutanoic acid

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID57812534

More details:






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

2-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4,4,4-trifluorbutansäure [German] [ACD/IUPAC Name]
2-{[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-4,4,4-trifluorobutanoic acid [ACD/IUPAC Name]
Acide 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétyl]amino}-4,4,4-trifluorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]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: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

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