ChemSpider 2D Image | (4-Bromophenyl)(4-{[6-(3-buten-1-ylamino)hexyl]oxy}-2-fluorophenyl)methanone | C23H27BrFNO2

(4-Bromophenyl)(4-{[6-(3-buten-1-ylamino)hexyl]oxy}-2-fluorophenyl)methanone

  • Molecular FormulaC23H27BrFNO2
  • Average mass448.368 Da
  • Monoisotopic mass447.120911 Da
  • ChemSpider ID67172850

More details:

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

(4-Bromophenyl)(4-{[6-(3-buten-1-ylamino)hexyl]oxy}-2-fluorophenyl)methanone [ACD/IUPAC Name]
(4-Bromophényl)(4-{[6-(3-butén-1-ylamino)hexyl]oxy}-2-fluorophényl)méthanone [French] [ACD/IUPAC Name]
(4-Bromphenyl)(4-{[6-(3-buten-1-ylamino)hexyl]oxy}-2-fluorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, (4-bromophenyl)[4-[[6-(3-buten-1-ylamino)hexyl]oxy]-2-fluorophenyl]- [ACD/Index Name]
4'-[6-(allylmethylamino)hexyloxy]-4-bromo-2'-fluorobenzophenone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 9.72
ACD/KOC (pH 5.5): 23.43
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 22.79
ACD/KOC (pH 7.4): 54.93
Polar Surface Area: 38 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 364.4±3.0 cm3

Click to predict properties on the Chemicalize site


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