ChemSpider 2D Image | PF 998425 | C14H14F3NO

PF 998425

  • Molecular FormulaC14H14F3NO
  • Average mass269.262 Da
  • Monoisotopic mass269.102753 Da
  • ChemSpider ID24606067

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1076225-27-8 [RN]
4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
4-[(1R,2R)-2-Hydroxycyclohexyl]-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-[(1R,2R)-2-Hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-[(1R,2R)-2-Hydroxycyclohexyl]-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)- [ACD/Index Name]
MFCD17215970
PF 998425
PF-998425
[1076225-27-8] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 3923

    • Bio Activity:

      Androgen Receptor Tocris Bioscience 3923
      Non-steroidal androgen receptor antagonist Tocris Bioscience 3923
      Nuclear Receptors Tocris Bioscience 3923
      Selective non-steroidal androgen receptor (AR) antagonist (IC50 values are 26 nM and 90 nM in AR binding assays and cellular assays respectively). Displays low affinity for progesterone receptor (IC50 > 10 ?M). Active in vivo. Tocris Bioscience 3923
      Selective non-steroidal androgen receptor (AR) antagonist (IC50 values are 26 nM and 90 nM in AR binding assays and cellular assays respectively). Displays low affinity for progesterone receptor (IC50 > 10 muM). Active in vivo. Tocris Bioscience 3923
      Selective non-steroidal androgen receptor (AR) antagonist (IC50 values are 26 nM and 90 nM in AR binding assays and cellular assays respectively). Displays low affinity for progesterone receptor (IC50 > 10 ?M). Active in vivo. Tocris Bioscience 3923

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

Density: 1.3±0.1 g/cm3
Boiling Point: 365.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.7±27.9 °C
Index of Refraction: 1.517
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.61
ACD/KOC (pH 5.5): 1917.25
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.61
ACD/KOC (pH 7.4): 1917.25
Polar Surface Area: 44 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

Click to predict properties on the Chemicalize site


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