ChemSpider 2D Image | (5S)-5-(Methoxymethyl)-3-{4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl}-1,3-oxazolidin-2-one | C15H18F3NO5

(5S)-5-(Methoxymethyl)-3-{4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl}-1,3-oxazolidin-2-one

  • Molecular FormulaC15H18F3NO5
  • Average mass349.302 Da
  • Monoisotopic mass349.113708 Da
  • ChemSpider ID18666595

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-(Methoxymethyl)-3-{4-[(3S)-4,4,4-trifluor-3-hydroxybutoxy]phenyl}-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(5S)-5-(Methoxymethyl)-3-{4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl}-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(5S)-5-(Méthoxyméthyl)-3-{4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phényl}-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 5-(methoxymethyl)-3-[4-[(3S)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-, (5S)- [ACD/Index Name]
5-Methoxymethyl-3-[4-(4,4,4-trifluoro-3-hydroxy-butoxy)-phenyl]-oxazolidin-2-one
CHEMBL18101

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.3±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.76
ACD/KOC (pH 5.5): 305.09
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.76
ACD/KOC (pH 7.4): 305.09
Polar Surface Area: 68 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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