ChemSpider 2D Image | 8-Fluoro-N-(2-isopropyl-3-methylbutyl)-4-thiochromanamine | C17H26FNS

8-Fluoro-N-(2-isopropyl-3-methylbutyl)-4-thiochromanamine

  • Molecular FormulaC17H26FNS
  • Average mass295.458 Da
  • Monoisotopic mass295.177002 Da
  • ChemSpider ID52064562

More details:

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

2H-1-Benzothiopyran-4-amine, 8-fluoro-3,4-dihydro-N-[3-methyl-2-(1-methylethyl)butyl]- [ACD/Index Name]
8-Fluor-N-(2-isopropyl-3-methylbutyl)-4-thiochromanamin [German] [ACD/IUPAC Name]
8-Fluoro-N-(2-isopropyl-3-methylbutyl)-4-thiochromanamine [ACD/IUPAC Name]
8-Fluoro-N-(2-isopropyl-3-méthylbutyl)-4-thiochromanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 167.8±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 18.16
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 166.95
ACD/KOC (pH 7.4): 532.70
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

Click to predict properties on the Chemicalize site


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