ChemSpider 2D Image | (1R)-8-Fluoro-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol | C19H22FNO5

(1R)-8-Fluoro-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol

  • Molecular FormulaC19H22FNO5
  • Average mass363.380 Da
  • Monoisotopic mass363.148193 Da
  • ChemSpider ID28511941

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-8-Fluor-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isochinolindiol [German] [ACD/IUPAC Name]
(1R)-8-Fluoro-1-(3,4,5-triméthoxybenzyl)-1,2,3,4-tétrahydro-6,7-isoquinoléinediol [French] [ACD/IUPAC Name]
(1R)-8-Fluoro-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol [ACD/IUPAC Name]
6,7-Isoquinolinediol, 8-fluoro-1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, (1R)- [ACD/Index Name]
TMQ, R-(-)-8-Fluoro

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 261.7±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 9.32
ACD/KOC (pH 7.4): 107.91
Polar Surface Area: 80 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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