ChemSpider 2D Image | (R)-penflufen | C18H24FN3O

(R)-penflufen

  • Molecular FormulaC18H24FN3O
  • Average mass317.401 Da
  • Monoisotopic mass317.190338 Da
  • ChemSpider ID34448696

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-penflufen
1H-Pyrazole-4-carboxamide, N-[2-[(1R)-1,3-dimethylbutyl]phenyl]-5-fluoro-1,3-dimethyl- [ACD/Index Name]
5-Fluor-1,3-dimethyl-N-{2-[(2R)-4-methyl-2-pentanyl]phenyl}-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Fluoro-1,3-dimethyl-N-{2-[(2R)-4-methyl-2-pentanyl]phenyl}-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Fluoro-1,3-diméthyl-N-{2-[(2R)-4-méthyl-2-pentanyl]phényl}-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
5-fluoro-1,3-dimethyl-N-{2-[(2R)-4-methylpentan-2-yl]phenyl}-1H-pyrazole-4-carboxamide
  • Miscellaneous

    • Chemical Class:

      5-fluoro-1,3-dimethyl-<element>N</element>-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (<stereo>R</stereo>)-enantiomer of penflufen. ChEBI CHEBI:83136
      5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (R)-enantiomer of penflufen. ChEBI CHEBI:83136

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.2±27.9 °C
Index of Refraction: 1.555
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 679.13
ACD/KOC (pH 5.5): 3704.32
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 679.09
ACD/KOC (pH 7.4): 3704.12
Polar Surface Area: 47 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 34.4±7.0 dyne/cm
Molar Volume: 281.4±7.0 cm3

Click to predict properties on the Chemicalize site


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