ChemSpider 2D Image | [2-(Allylsulfanyl)phenyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C21H21F3N2OS

[2-(Allylsulfanyl)phenyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC21H21F3N2OS
  • Average mass406.464 Da
  • Monoisotopic mass406.132660 Da
  • ChemSpider ID68244728

More details:

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

[2-(Allylsulfanyl)phenyl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[2-(Allylsulfanyl)phenyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[2-(Allylsulfanyl)phényl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(2-propen-1-ylthio)phenyl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
1-[2-(PROP-2-EN-1-YLSULFANYL)BENZOYL]-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 973.87
ACD/KOC (pH 5.5): 4794.65
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 973.98
ACD/KOC (pH 7.4): 4795.16
Polar Surface Area: 49 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 311.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement