ChemSpider 2D Image | 2-sec-Butyl-1-[(ethylsulfanyl)methyl]-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline | C17H26FNS

2-sec-Butyl-1-[(ethylsulfanyl)methyl]-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC17H26FNS
  • Average mass295.458 Da
  • Monoisotopic mass295.177002 Da
  • ChemSpider ID95995412

More details:

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

2-sec-Butyl-1-[(ethylsulfanyl)methyl]-5-fluor-1-methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
2-sec-Butyl-1-[(éthylsulfanyl)méthyl]-5-fluoro-1-méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-sec-Butyl-1-[(ethylsulfanyl)methyl]-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-[(ethylthio)methyl]-5-fluoro-1,2,3,4-tetrahydro-1-methyl-2-(1-methylpropyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 365.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 174.7±27.9 °C
Index of Refraction: 1.519
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 37.51
ACD/KOC (pH 5.5): 128.68
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1548.99
ACD/KOC (pH 7.4): 5313.26
Polar Surface Area: 29 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement