ChemSpider 2D Image | 4-[(Methyl{[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl}amino)methyl]tetrahydro-2H-pyran-4-ol | C13H19F3N2O2S

4-[(Methyl{[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl}amino)methyl]tetrahydro-2H-pyran-4-ol

  • Molecular FormulaC13H19F3N2O2S
  • Average mass324.362 Da
  • Monoisotopic mass324.111938 Da
  • ChemSpider ID64941095

More details:

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

2H-Pyran-4-ol, tetrahydro-4-[[methyl[[2-methyl-4-(trifluoromethyl)-5-thiazolyl]methyl]amino]methyl]- [ACD/Index Name]
4-[(Methyl{[2-methyl-4-(trifluormethyl)-1,3-thiazol-5-yl]methyl}amino)methyl]tetrahydro-2H-pyran-4-ol [German] [ACD/IUPAC Name]
4-[(Methyl{[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl}amino)methyl]tetrahydro-2H-pyran-4-ol [ACD/IUPAC Name]
4-[(Méthyl{[2-méthyl-4-(trifluorométhyl)-1,3-thiazol-5-yl]méthyl}amino)méthyl]tétrahydro-2H-pyran-4-ol [French] [ACD/IUPAC 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: 383.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 186.0±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.29
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.23
ACD/KOC (pH 7.4): 151.06
Polar Surface Area: 74 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 247.4±3.0 cm3

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