ChemSpider 2D Image | Pentafluorophenyl 2-pyrrolidin-1-ylpyrimidine-5-carboxylate | C15H10F5N3O2

Pentafluorophenyl 2-pyrrolidin-1-ylpyrimidine-5-carboxylate

  • Molecular FormulaC15H10F5N3O2
  • Average mass359.251 Da
  • Monoisotopic mass359.069305 Da
  • ChemSpider ID21469322

More details:

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

2-(1-Pyrrolidinyl)-5-pyrimidinecarboxylate de pentafluorophényle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-(1-pyrrolidinyl)-, 2,3,4,5,6-pentafluorophenyl ester [ACD/Index Name]
946409-38-7 [RN]
Pentafluorophenyl 2-(1-pyrrolidinyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Pentafluorophenyl 2-pyrrolidin-1-ylpyrimidine-5-carboxylate
Pentafluorphenyl-2-(1-pyrrolidinyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
2-(1-pyrrolidinyl)-5-pyrimidinecarboxylic acid (2,3,4,5,6-pentafluorophenyl) ester
2-(Dimethylamino)nicotinonitrile [ACD/IUPAC Name]
95%
MFCD09817560 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 516.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.2±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 74.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.98
ACD/KOC (pH 5.5): 2962.26
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 497.05
ACD/KOC (pH 7.4): 2962.70
Polar Surface Area: 55 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 234.9±3.0 cm3

Click to predict properties on the Chemicalize site


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