ChemSpider 2D Image | (3R,4R)-4-Fluoro-1,3-diphenyl-4-(phenylsulfonyl)-1-butanone | C22H19FO3S

(3R,4R)-4-Fluoro-1,3-diphenyl-4-(phenylsulfonyl)-1-butanone

  • Molecular FormulaC22H19FO3S
  • Average mass382.448 Da
  • Monoisotopic mass382.103882 Da
  • ChemSpider ID77425122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Fluor-1,3-diphenyl-4-(phenylsulfonyl)-1-butanon [German] [ACD/IUPAC Name]
(3R,4R)-4-Fluoro-1,3-diphenyl-4-(phenylsulfonyl)-1-butanone [ACD/IUPAC Name]
(3R,4R)-4-Fluoro-1,3-diphényl-4-(phénylsulfonyl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 4-fluoro-1,3-diphenyl-4-(phenylsulfonyl)-, (3R,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1290.81
ACD/KOC (pH 5.5): 5866.16
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1290.81
ACD/KOC (pH 7.4): 5866.16
Polar Surface Area: 60 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 307.4±3.0 cm3

Click to predict properties on the Chemicalize site


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