ChemSpider 2D Image | 1-(5-Fluoro-2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1-butanone | C17H26FNO3

1-(5-Fluoro-2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1-butanone

  • Molecular FormulaC17H26FNO3
  • Average mass311.392 Da
  • Monoisotopic mass311.189667 Da
  • ChemSpider ID32809530
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-(5-Fluor-2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1-butanon [German] [ACD/IUPAC Name]
1-(5-Fluoro-2-{(2R)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1-butanone [ACD/IUPAC Name]
1-(5-Fluoro-2-{(2R)-2-hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}phényl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[2-[(2R)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]- [ACD/Index Name]
261-502-5 [EINECS]
58930-32-8 [RN]
Butofilolol [INN] [Wiki]
UNII-4AZC6Y5A8G

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

O4NZP2ZMZP [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 441.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 221.0±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.91
Polar Surface Area: 59 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 288.0±3.0 cm3

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