ChemSpider 2D Image | 1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-1-fluoro-3-phenyl-2-propanyl]piperazine | C28H31F3N2O

1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-1-fluoro-3-phenyl-2-propanyl]piperazine

  • Molecular FormulaC28H31F3N2O
  • Average mass468.554 Da
  • Monoisotopic mass468.238861 Da
  • ChemSpider ID24695200

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-1-fluoro-3-phenyl-2-propanyl]piperazine [ACD/IUPAC Name]
1-{2-[Bis(4-fluorophényl)méthoxy]éthyl}-4-[(2S)-1-fluoro-3-phényl-2-propanyl]pipérazine [French] [ACD/IUPAC Name]
1-{2-[Bis(4-fluorphenyl)methoxy]ethyl}-4-[(2S)-1-fluor-3-phenyl-2-propanyl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(1S)-2-fluoro-1-(phenylmethyl)ethyl]- [ACD/Index Name]
GBR 12935 Analogue, (S)-32
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468208/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 244.45
ACD/KOC (pH 5.5): 742.07
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4215.82
ACD/KOC (pH 7.4): 12797.79
Polar Surface Area: 16 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 400.2±3.0 cm3

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