ChemSpider 2D Image | 4-Fluoro-N-methyl-N-[2-(2-pyrazinyl)ethyl]-2-[(trifluoromethyl)sulfonyl]aniline | C14H13F4N3O2S

4-Fluoro-N-methyl-N-[2-(2-pyrazinyl)ethyl]-2-[(trifluoromethyl)sulfonyl]aniline

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID30408344

More details:






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

2-Pyrazineethanamine, N-[4-fluoro-2-[(trifluoromethyl)sulfonyl]phenyl]-N-methyl- [ACD/Index Name]
4-Fluor-N-methyl-N-[2-(2-pyrazinyl)ethyl]-2-[(trifluormethyl)sulfonyl]anilin [German] [ACD/IUPAC Name]
4-Fluoro-N-methyl-N-[2-(2-pyrazinyl)ethyl]-2-[(trifluoromethyl)sulfonyl]aniline [ACD/IUPAC Name]
4-Fluoro-N-méthyl-N-[2-(2-pyrazinyl)éthyl]-2-[(trifluorométhyl)sulfonyl]aniline [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 467.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.8±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 230.43
ACD/KOC (pH 5.5): 1708.33
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.68
ACD/KOC (pH 7.4): 1710.20
Polar Surface Area: 72 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site






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