ChemSpider 2D Image | (3R)-1-[(3-Fluoro-4-methoxyphenyl)sulfonyl]-3,4,4-trimethyl-3-pyrrolidinol | C14H20FNO4S

(3R)-1-[(3-Fluoro-4-methoxyphenyl)sulfonyl]-3,4,4-trimethyl-3-pyrrolidinol

  • Molecular FormulaC14H20FNO4S
  • Average mass317.376 Da
  • Monoisotopic mass317.109711 Da
  • ChemSpider ID29686176

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[(3-Fluor-4-methoxyphenyl)sulfonyl]-3,4,4-trimethyl-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R)-1-[(3-Fluoro-4-methoxyphenyl)sulfonyl]-3,4,4-trimethyl-3-pyrrolidinol [ACD/IUPAC Name]
(3R)-1-[(3-Fluoro-4-méthoxyphényl)sulfonyl]-3,4,4-triméthyl-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[(3-fluoro-4-methoxyphenyl)sulfonyl]-3,4,4-trimethyl-, (3R)- [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: 435.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 217.5±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.29
ACD/KOC (pH 5.5): 516.34
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.29
ACD/KOC (pH 7.4): 516.34
Polar Surface Area: 75 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 249.1±3.0 cm3

Click to predict properties on the Chemicalize site


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