ChemSpider 2D Image | (1R,5S)-3-{[6-(Trifluoromethyl)-3-pyridinyl]carbonyl}-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid | C14H11F3N2O5

(1R,5S)-3-{[6-(Trifluoromethyl)-3-pyridinyl]carbonyl}-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

  • Molecular FormulaC14H11F3N2O5
  • Average mass344.243 Da
  • Monoisotopic mass344.062012 Da
  • ChemSpider ID71347910
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,5S)-3-{[6-(Trifluormethyl)-3-pyridinyl]carbonyl}-3-azabicyclo[3.1.0]hexan-1,5-dicarbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-3-{[6-(Trifluoromethyl)-3-pyridinyl]carbonyl}-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid, 3-[[6-(trifluoromethyl)-3-pyridinyl]carbonyl]-, (1R,5S)- [ACD/Index Name]
Acide (1R,5S)-3-{[6-(trifluorométhyl)-3-pyridinyl]carbonyl}-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

Density: 1.8±0.1 g/cm3
Boiling Point: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 82.3±3.0 dyne/cm
Molar Volume: 196.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement