ChemSpider 2D Image | 4-[(1Z)-4-{Bis[(~2~H_3_)methyl]amino}-1-(4-fluorophenyl)-1-buten-1-yl]-3-(hydroxymethyl)benzonitrile | C20H15D6FN2O

4-[(1Z)-4-{Bis[(2H3)methyl]amino}-1-(4-fluorophenyl)-1-buten-1-yl]-3-(hydroxymethyl)benzonitrile

  • Molecular FormulaC20H15D6FN2O
  • Average mass330.429 Da
  • Monoisotopic mass330.201447 Da
  • ChemSpider ID58793939

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(1Z)-4-{Bis[(2H3)methyl]amino}-1-(4-fluorophenyl)-1-buten-1-yl]-3-(hydroxymethyl)benzonitrile [ACD/IUPAC Name]
4-[(1Z)-4-{Bis[(2H3)méthyl]amino}-1-(4-fluorophényl)-1-butén-1-yl]-3-(hydroxyméthyl)benzonitrile [French] [ACD/IUPAC Name]
4-[(1Z)-4-{Bis[(2H3)methyl]amino}-1-(4-fluorphenyl)-1-buten-1-yl]-3-(hydroxymethyl)benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(1Z)-4-(dimethyl-d3-amino)-1-(4-fluorophenyl)-1-buten-1-yl]-3-(hydroxymethyl)- [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: 504.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 259.2±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 4.96
ACD/KOC (pH 7.4): 36.39
Polar Surface Area: 47 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

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