ChemSpider 2D Image | 2,2,2-Trifluoro-1-(1-{[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}-2-pyrrolidinyl)ethanol | C13H19F3N2O2S

2,2,2-Trifluoro-1-(1-{[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}-2-pyrrolidinyl)ethanol

  • Molecular FormulaC13H19F3N2O2S
  • Average mass324.362 Da
  • Monoisotopic mass324.111938 Da
  • ChemSpider ID35150207

More details:

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

2,2,2-Trifluor-1-(1-{[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}-2-pyrrolidinyl)ethanol [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(1-{[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}-2-pyrrolidinyl)ethanol [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(1-{[2-(1-méthoxyéthyl)-1,3-thiazol-4-yl]méthyl}-2-pyrrolidinyl)éthanol [French] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 1-[[2-(1-methoxyethyl)-4-thiazolyl]methyl]-α-(trifluoromethyl)- [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: 375.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 180.8±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.70
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 8.91
ACD/KOC (pH 7.4): 144.42
Polar Surface Area: 74 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 246.7±3.0 cm3

Click to predict properties on the Chemicalize site


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