ChemSpider 2D Image | (1R)-3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol | C26H30Cl2F3NO

(1R)-3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol

  • Molecular FormulaC26H30Cl2F3NO
  • Average mass500.424 Da
  • Monoisotopic mass499.165649 Da
  • ChemSpider ID23250134

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-3-(Dibutylamino)-1-[1,3-dichlor-6-(trifluormethyl)-9-phenanthryl]-1-propanol [German] [ACD/IUPAC Name]
(1R)-3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]-1-propanol [ACD/IUPAC Name]
(1R)-3-(Dibutylamino)-1-[1,3-dichloro-6-(trifluorométhyl)-9-phénanthryl]-1-propanol [French] [ACD/IUPAC Name]
9-Phenanthrenemethanol, 1,3-dichloro-α-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)-, (αR)- [ACD/Index Name]
(1R)-3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol
274-104-1 [EINECS]
3-Dibutylamino-1-(1,3-dichloro-6-trifluoromethyl-phenanthren-9-yl)-propan-1-ol
69756-53-2 [RN]
Halofantrine [Wiki]
UNII-Q2OS4303HZ

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

Density: 1.2±0.0 g/cm3
Boiling Point: 596.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 93.4±0.0 kJ/mol
Flash Point: 314.4±0.0 °C
Index of Refraction: 1.577
Molar Refractivity: 133.2±0.0 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 2278.49
ACD/KOC (pH 5.5): 1207.63
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 26275.00
ACD/KOC (pH 7.4): 13926.14
Polar Surface Area: 23 Å2
Polarizability: 52.8±0.0 10-24cm3
Surface Tension: 41.4±0.0 dyne/cm
Molar Volume: 402.0±0.0 cm3

Click to predict properties on the Chemicalize site


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