ChemSpider 2D Image | (2R)-1,1-Difluoro-2-hydroxy-1,2,3-propanetricarboxylic acid | C6H6F2O7

(2R)-1,1-Difluoro-2-hydroxy-1,2,3-propanetricarboxylic acid

  • Molecular FormulaC6H6F2O7
  • Average mass228.104 Da
  • Monoisotopic mass228.008163 Da
  • ChemSpider ID28640217
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1,1-Difluor-2-hydroxy-1,2,3-propantricarbonsäure [German] [ACD/IUPAC Name]
(2R)-1,1-Difluoro-2-hydroxy-1,2,3-propanetricarboxylic acid [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 1,1-difluoro-2-hydroxy-, (2R)- [ACD/Index Name]
Acide (2R)-1,1-difluoro-2-hydroxy-1,2,3-propanetricarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 324.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 149.8±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

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