ChemSpider 2D Image | (1R,2R,3r,4S,5S,6r)-3,6-Difluoro-1,2,4,5-cyclohexanetetrol | C6H10F2O4

(1R,2R,3r,4S,5S,6r)-3,6-Difluoro-1,2,4,5-cyclohexanetetrol

  • Molecular FormulaC6H10F2O4
  • Average mass184.138 Da
  • Monoisotopic mass184.054718 Da
  • ChemSpider ID24694340

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3r,4S,5S,6r)-3,6-Difluor-1,2,4,5-cyclohexantetrol [German] [ACD/IUPAC Name]
(1R,2R,3r,4S,5S,6r)-3,6-Difluoro-1,2,4,5-cyclohexanetetrol [ACD/IUPAC Name]
(1R,2R,3r,4S,5S,6r)-3,6-Difluoro-1,2,4,5-cyclohexanetétrol [French] [ACD/IUPAC Name]
1,2,4,5-Cyclohexanetetrol, 3,6-difluoro-, (1α,2β,3α,4β,5α,6β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467978/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 320.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.1±6.0 kJ/mol
Flash Point: 147.3±27.9 °C
Index of Refraction: 1.509
Molar Refractivity: 34.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.21
Polar Surface Area: 81 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 113.9±5.0 cm3

Click to predict properties on the Chemicalize site


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