ChemSpider 2D Image | 1-(1-Benzothiophen-3-yl)-3-(2-fluorophenyl)-2-propanamine | C17H16FNS

1-(1-Benzothiophen-3-yl)-3-(2-fluorophenyl)-2-propanamine

  • Molecular FormulaC17H16FNS
  • Average mass285.379 Da
  • Monoisotopic mass285.098755 Da
  • ChemSpider ID43739319

More details:

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

1-(1-Benzothiophen-3-yl)-3-(2-fluorophenyl)-2-propanamine [ACD/IUPAC Name]
1-(1-Benzothiophén-3-yl)-3-(2-fluorophényl)-2-propanamine [French] [ACD/IUPAC Name]
1-(1-Benzothiophen-3-yl)-3-(2-fluorphenyl)-2-propanamin [German] [ACD/IUPAC Name]
Benzo[b]thiophene-3-ethanamine, α-[(2-fluorophenyl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±25.9 °C
Index of Refraction: 1.653
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 7.49
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 44.75
ACD/KOC (pH 7.4): 198.06
Polar Surface Area: 54 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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