ChemSpider 2D Image | 2-({[(3S,4S)-4-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione | C14H10F3NO5

2-({[(3S,4S)-4-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC14H10F3NO5
  • Average mass329.228 Da
  • Monoisotopic mass329.051117 Da
  • ChemSpider ID71106733

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[[[(3S,4S)-tetrahydro-4-(trifluoromethyl)-3-furanyl]carbonyl]oxy]- [ACD/Index Name]
2-({[(3S,4S)-4-(Trifluormethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-({[(3S,4S)-4-(Trifluoromethyl)tetrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-({[(3S,4S)-4-(Trifluorométhyl)tétrahydro-3-furanyl]carbonyl}oxy)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2248376-78-3 [RN]
rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (3R,4R)-4-(trifluoromethyl)oxolane-3-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 430.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.0±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.43
ACD/KOC (pH 5.5): 211.39
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.43
ACD/KOC (pH 7.4): 211.39
Polar Surface Area: 73 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site


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