ChemSpider 2D Image | (1R,5S)-3-(2,4,5-Trifluorobenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid | C14H10F3NO5

(1R,5S)-3-(2,4,5-Trifluorobenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

  • Molecular FormulaC14H10F3NO5
  • Average mass329.228 Da
  • Monoisotopic mass329.051117 Da
  • ChemSpider ID71338966

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-(2,4,5-Trifluorbenzoyl)-3-azabicyclo[3.1.0]hexan-1,5-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-3-(2,4,5-Trifluorobenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid, 3-(2,4,5-trifluorobenzoyl)-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S)-3-(2,4,5-trifluorobenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 577.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.9±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 182.2±3.0 cm3

Click to predict properties on the Chemicalize site


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