ChemSpider 2D Image | (3S,4S)-4-Ethoxy-1-(3-fluoro-2-methoxybenzyl)-3-pyrrolidinol | C14H20FNO3

(3S,4S)-4-Ethoxy-1-(3-fluoro-2-methoxybenzyl)-3-pyrrolidinol

  • Molecular FormulaC14H20FNO3
  • Average mass269.312 Da
  • Monoisotopic mass269.142731 Da
  • ChemSpider ID35080184

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-Ethoxy-1-(3-fluor-2-methoxybenzyl)-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S,4S)-4-Ethoxy-1-(3-fluoro-2-methoxybenzyl)-3-pyrrolidinol [ACD/IUPAC Name]
(3S,4S)-4-Éthoxy-1-(3-fluoro-2-méthoxybenzyl)-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 4-ethoxy-1-[(3-fluoro-2-methoxyphenyl)methyl]-, (3S,4S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4522445/
trans-4-ethoxy-1-(3-fluoro-2-methoxybenzyl)pyrrolidin-3-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: 365.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.5±27.9 °C
Index of Refraction: 1.542
Molar Refractivity: 70.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 69.01
Polar Surface Area: 42 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 224.5±5.0 cm3

Click to predict properties on the Chemicalize site


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