ChemSpider 2D Image | (9S)-10-(3-Fluoropropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C17H24FNO

(9S)-10-(3-Fluoropropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC17H24FNO
  • Average mass277.377 Da
  • Monoisotopic mass277.184204 Da
  • ChemSpider ID58818447

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(9S)-10-(3-Fluoropropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(9S)-10-(3-Fluoropropyl)-1,13-diméthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
(9S)-10-(3-Fluorpropyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-8-ol, 3-(3-fluoropropyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2S)- [ACD/Index Name]
99134-12-0 [RN]
N-(3-Fluoropropyl)-N-normetazocine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 190.9±27.9 °C
Index of Refraction: 1.535
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 6.87
ACD/KOC (pH 7.4): 55.90
Polar Surface Area: 23 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 254.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement