ChemSpider 2D Image | (1S)-1-(4-Fluorophenyl)-1-[3-{methyl[(~11~C)methyl]amino}(3,3-~2~H_2_)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile | C1911CH19D2FN2O

(1S)-1-(4-Fluorophenyl)-1-[3-{methyl[(11C)methyl]amino}(3,3-2H2)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile

  • Molecular FormulaC1911CH19D2FN2O
  • Average mass325.405 Da
  • Monoisotopic mass325.187775 Da
  • ChemSpider ID9442350

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S)-1-(4-Fluorophenyl)-1-[3-{methyl[(11C)methyl]amino}(3,3-2H2)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile [ACD/IUPAC Name]
(1S)-1-(4-Fluorophényl)-1-[3-{méthyl[(11C)méthyl]amino}(3,3-2H2)propyl]-1,3-dihydro-2-benzofurane-5-carbonitrile [French] [ACD/IUPAC Name]
(1S)-1-(4-Fluorphenyl)-1-[3-{methyl[(11C)methyl]amino}(3,3-2H2)propyl]-1,3-dihydro-2-benzofuran-5-carbonitril [German] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylmethyl-11C-amino)propyl-3,3-d2]-, (1S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

Click to predict properties on the Chemicalize site


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