ChemSpider 2D Image | Pentafluorophenyl 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]isonicotinate | C21H20F5N3O4

Pentafluorophenyl 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]isonicotinate

  • Molecular FormulaC21H20F5N3O4
  • Average mass473.393 Da
  • Monoisotopic mass473.137390 Da
  • ChemSpider ID21469399

More details:

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

1,1-Dimethylethyl 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-[4-[(2,3,4,5,6-pentafluorophenoxy)carbonyl]-2-pyridinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(pentafluorophenoxy)carbonyl]-2-pyridinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(pentafluorphenoxy)carbonyl]-2-pyridinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(Pentafluorophénoxy)carbonyl]-2-pyridinyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
944450-81-1 [RN]
Pentafluorophenyl 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]isonicotinate
4-[4-[oxo-(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester
Aceclidine [INN] [USAN] [Wiki]
MFCD09966147 [MDL number]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 415.24
ACD/KOC (pH 5.5): 1877.54
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1278.94
ACD/KOC (pH 7.4): 5782.85
Polar Surface Area: 72 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 337.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement