ChemSpider 2D Image | 3-Phenyl-1-[(3,3,3-trifluoropropyl)sulfonyl]azepane | C15H20F3NO2S

3-Phenyl-1-[(3,3,3-trifluoropropyl)sulfonyl]azepane

  • Molecular FormulaC15H20F3NO2S
  • Average mass335.385 Da
  • Monoisotopic mass335.116669 Da
  • ChemSpider ID34488718

More details:

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

1H-Azepine, hexahydro-3-phenyl-1-[(3,3,3-trifluoropropyl)sulfonyl]- [ACD/Index Name]
3-Phenyl-1-[(3,3,3-trifluoropropyl)sulfonyl]azepane [ACD/IUPAC Name]
3-Phényl-1-[(3,3,3-trifluoropropyl)sulfonyl]azépane [French] [ACD/IUPAC Name]
3-Phenyl-1-[(3,3,3-trifluorpropyl)sulfonyl]azepan [German] [ACD/IUPAC Name]
2034288-38-3 [RN]
3-phenyl-1-((3,3,3-trifluoropropyl)sulfonyl)azepane
3-phenyl-1-(3,3,3-trifluoropropanesulfonyl)azepane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.6±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.85
ACD/KOC (pH 5.5): 2880.29
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.85
ACD/KOC (pH 7.4): 2880.29
Polar Surface Area: 46 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 261.2±5.0 cm3

Click to predict properties on the Chemicalize site


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