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Search term: PPFKZUHHAXUCRZ-MROZADKFSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (3S,4R,6R)-5,5-Difluoro-6-methyl-3,4-piperidinediol | C6H11F2NO2

(3S,4R,6R)-5,5-Difluoro-6-methyl-3,4-piperidinediol

  • Molecular FormulaC6H11F2NO2
  • Average mass167.154 Da
  • Monoisotopic mass167.075790 Da
  • ChemSpider ID23269765
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,4R,6R)-5,5-Difluor-6-methyl-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3S,4R,6R)-5,5-Difluoro-6-methyl-3,4-piperidinediol [ACD/IUPAC Name]
(3S,4R,6R)-5,5-Difluoro-6-méthyl-3,4-pipéridinediol [French] [ACD/IUPAC Name]
(3S,4R,6R)-5,5-difluoro-6-methylpiperidine-3,4-diol
3,4-Piperidinediol, 5,5-difluoro-6-methyl-, (3S,4R,6R)- [ACD/Index Name]
853730-28-6 [RN]
CHEMBL206628
D-1,4,6-trideoxy-4,4-difluoronojirimycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 239.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.4±6.0 kJ/mol
Flash Point: 98.6±27.3 °C
Index of Refraction: 1.467
Molar Refractivity: 34.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.11
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.04
Polar Surface Area: 52 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 125.1±5.0 cm3

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