ChemSpider 2D Image | (6S)-4-Fluoro-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one | C6H5FO4

(6S)-4-Fluoro-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one

  • Molecular FormulaC6H5FO4
  • Average mass160.100 Da
  • Monoisotopic mass160.017181 Da
  • ChemSpider ID35035235

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-4-Fluor-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6S)-4-Fluoro-6-hydroperoxy-6-hydroxy-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6S)-4-Fluoro-6-hydroperoxy-6-hydroxy-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
(6s)-4-Fluoro-6-Hydroperoxy-6-Hydroxycyclohexa-2,4-Dien-1-One
2,4-Cyclohexadien-1-one, 4-fluoro-6-hydroperoxy-6-hydroxy-, (6S)- [ACD/Index Name]
3N9

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

Density: 1.6±0.1 g/cm3
Boiling Point: 375.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.0±6.0 kJ/mol
Flash Point: 180.6±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 32.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.70
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.06
Polar Surface Area: 67 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 100.2±5.0 cm3

Click to predict properties on the Chemicalize site


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