ChemSpider 2D Image | 2-(4-{(2E)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl}-1-piperazinyl)ethanol | C23H25F3N2OS

2-(4-{(2E)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl}-1-piperazinyl)ethanol

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID62918009

More details:

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

1-Piperazineethanol, 4-[(2E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl]- [ACD/Index Name]
2-(4-{(2E)-3-[2-(Trifluormethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl}-1-piperazinyl)ethanol [German] [ACD/IUPAC Name]
2-(4-{(2E)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-yl]-2-propen-1-yl}-1-piperazinyl)ethanol [ACD/IUPAC Name]
2-(4-{(2E)-3-[2-(Trifluorométhyl)-9H-thioxanthén-9-yl]-2-propén-1-yl}-1-pipérazinyl)éthanol [French] [ACD/IUPAC Name]
756419-50-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 24.90
ACD/KOC (pH 5.5): 130.15
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 565.63
ACD/KOC (pH 7.4): 2956.43
Polar Surface Area: 52 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 334.6±3.0 cm3

Click to predict properties on the Chemicalize site


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