ChemSpider 2D Image | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | C20H21F2N3O4

2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione

  • Molecular FormulaC20H21F2N3O4
  • Average mass405.395 Da
  • Monoisotopic mass405.150024 Da
  • ChemSpider ID24691189

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[(2S)-4,4-difluoro-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-3-oxopropyl]- [ACD/Index Name]
2-{3-[(2S)-4,4-Difluor-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-3-oxopropyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{3-[(2S)-4,4-Difluoro-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{3-[(2S)-4,4-Difluoro-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinyl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
2-{3-[(2S)-4,4-difluoro-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-isoindole-1,3-dione
2-{3-[(2S)-4,4-difluoro-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3-oxopropyl}isoindole-1,3-dione
2-{3-[(2S)-4,4-difluoro-2-[(pyrrolidin-1-yl)carbonyl]pyrrolidin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-isoindole-1,3-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458975/
X99

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.0±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.95
ACD/KOC (pH 5.5): 153.53
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.95
ACD/KOC (pH 7.4): 153.53
Polar Surface Area: 78 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

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