ChemSpider 2D Image | tert-Butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate | C14H22FN3O2

tert-Butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate

  • Molecular FormulaC14H22FN3O2
  • Average mass283.342 Da
  • Monoisotopic mass283.169617 Da
  • ChemSpider ID30775559

More details:






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

1329996-72-6 [RN]
2-(2-Fluoro-2-méthylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2-fluoro-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2-fluor-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-carboxylat [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2-(2-fluoro-2-methylpropyl)-2,6-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
tert-butyl 2-(2-fluoro-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.9±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.53
ACD/KOC (pH 5.5): 608.96
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.59
ACD/KOC (pH 7.4): 609.59
Polar Surface Area: 47 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

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