ChemSpider 2D Image | florbenazine | C21H32FNO3

florbenazine

  • Molecular FormulaC21H32FNO3
  • Average mass365.482 Da
  • Monoisotopic mass365.236633 Da
  • ChemSpider ID24640487

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,11bR)-9-(3-Fluoropropoxy)-3-isobutyl-10-méthoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-ol [French] [ACD/IUPAC Name]
(2R,3R,11bR)-9-(3-Fluoropropoxy)-3-isobutyl-10-methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol [ACD/IUPAC Name]
(2R,3R,11bR)-9-(3-Fluorpropoxy)-3-isobutyl-10-methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-ol [German] [ACD/IUPAC Name]
2H-Benzo[a]quinolizin-2-ol, 9-(3-fluoropropoxy)-1,3,4,6,7,11b-hexahydro-10-methoxy-3-(2-methylpropyl)-, (2R,3R,11bR)- [ACD/Index Name]
937245-42-6 [RN]
florbenazine

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

K5GDY88W5X [DBID]
UNII:K5GDY88W5X [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.8±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 22.70
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 175.55
ACD/KOC (pH 7.4): 1049.99
Polar Surface Area: 42 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 320.0±5.0 cm3

Click to predict properties on the Chemicalize site


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