ChemSpider 2D Image | (4R)-6-(3-Fluoro-4-hydroxyphenyl)-4-hydroxy-6-imino-2-hexanone | C12H14FNO3

(4R)-6-(3-Fluoro-4-hydroxyphenyl)-4-hydroxy-6-imino-2-hexanone

  • Molecular FormulaC12H14FNO3
  • Average mass239.243 Da
  • Monoisotopic mass239.095779 Da
  • ChemSpider ID35033699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-6-(3-Fluor-4-hydroxyphenyl)-4-hydroxy-6-imino-2-hexanon [German] [ACD/IUPAC Name]
(4R)-6-(3-Fluoro-4-hydroxyphenyl)-4-hydroxy-6-imino-2-hexanone [ACD/IUPAC Name]
(4R)-6-(3-Fluoro-4-hydroxyphényl)-4-hydroxy-6-imino-2-hexanone [French] [ACD/IUPAC Name]
2-Hexanone, 6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-imino-, (4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 439.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 219.9±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 81 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 188.0±7.0 cm3

Click to predict properties on the Chemicalize site


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