ChemSpider 2D Image | (3S)-3-(Diphenylphosphoryl)-3-(4-fluorophenyl)-1-propanol | C21H20FO2P

(3S)-3-(Diphenylphosphoryl)-3-(4-fluorophenyl)-1-propanol

  • Molecular FormulaC21H20FO2P
  • Average mass354.354 Da
  • Monoisotopic mass354.118500 Da
  • ChemSpider ID26994770

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Diphenylphosphoryl)-3-(4-fluorophenyl)-1-propanol [ACD/IUPAC Name]
(3S)-3-(Diphénylphosphoryl)-3-(4-fluorophényl)-1-propanol [French] [ACD/IUPAC Name]
(3S)-3-(Diphenylphosphoryl)-3-(4-fluorphenyl)-1-propanol [German] [ACD/IUPAC Name]
Benzenepropanol, γ-(diphenylphosphinyl)-4-fluoro-, (γS)- [ACD/Index Name]
(S)-3-(4-fluorophenyl)-3-(diphenylphosphoryl)propan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.4±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.44
ACD/KOC (pH 5.5): 2178.29
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.44
ACD/KOC (pH 7.4): 2178.29
Polar Surface Area: 47 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 287.4±5.0 cm3

Click to predict properties on the Chemicalize site


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