ChemSpider 2D Image | 3-Fluoro-4-[(3,3,3-trifluoropropyl)sulfonyl]aniline | C9H9F4NO2S

3-Fluoro-4-[(3,3,3-trifluoropropyl)sulfonyl]aniline

  • Molecular FormulaC9H9F4NO2S
  • Average mass271.232 Da
  • Monoisotopic mass271.029022 Da
  • ChemSpider ID36678343

More details:

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

3-Fluor-4-[(3,3,3-trifluorpropyl)sulfonyl]anilin [German] [ACD/IUPAC Name]
3-Fluoro-4-[(3,3,3-trifluoropropyl)sulfonyl]aniline [ACD/IUPAC Name]
3-Fluoro-4-[(3,3,3-trifluoropropyl)sulfonyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 3-fluoro-4-[(3,3,3-trifluoropropyl)sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.6±27.9 °C
Index of Refraction: 1.484
Molar Refractivity: 53.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.60
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.60
Polar Surface Area: 69 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 187.1±3.0 cm3

Click to predict properties on the Chemicalize site


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