ChemSpider 2D Image | (1R,2S,4s)-4-{[(4-Fluorobenzyl)amino]methyl}-4-[(2-methoxyethoxy)methyl]-1,2-cyclopentanediol | C17H26FNO4

(1R,2S,4s)-4-{[(4-Fluorobenzyl)amino]methyl}-4-[(2-methoxyethoxy)methyl]-1,2-cyclopentanediol

  • Molecular FormulaC17H26FNO4
  • Average mass327.391 Da
  • Monoisotopic mass327.184601 Da
  • ChemSpider ID32044281

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,4s)-4-{[(4-Fluorbenzyl)amino]methyl}-4-[(2-methoxyethoxy)methyl]-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1R,2S,4s)-4-{[(4-Fluorobenzyl)amino]methyl}-4-[(2-methoxyethoxy)methyl]-1,2-cyclopentanediol [ACD/IUPAC Name]
(1R,2S,4s)-4-{[(4-Fluorobenzyl)amino]méthyl}-4-[(2-méthoxyéthoxy)méthyl]-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 4-[[[(4-fluorophenyl)methyl]amino]methyl]-4-[(2-methoxyethoxy)methyl]-, (1α,2α,4β)- [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: 434.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.8±27.3 °C
Index of Refraction: 1.533
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 71 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


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