ChemSpider 2D Image | 2-[(3,3-Difluorocyclobutyl)methyl]-3-oxo-N-[4-(trifluoromethoxy)benzyl]-1-isoindolinecarboxamide | C22H19F5N2O3

2-[(3,3-Difluorocyclobutyl)methyl]-3-oxo-N-[4-(trifluoromethoxy)benzyl]-1-isoindolinecarboxamide

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID28640919

More details:

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

1H-Isoindole-1-carboxamide, 2-[(3,3-difluorocyclobutyl)methyl]-2,3-dihydro-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
2-[(3,3-Difluorcyclobutyl)methyl]-3-oxo-N-[4-(trifluormethoxy)benzyl]-1-isoindolincarboxamid [German] [ACD/IUPAC Name]
2-[(3,3-Difluorocyclobutyl)methyl]-3-oxo-N-[4-(trifluoromethoxy)benzyl]-1-isoindolinecarboxamide [ACD/IUPAC Name]
2-[(3,3-Difluorocyclobutyl)méthyl]-3-oxo-N-[4-(trifluorométhoxy)benzyl]-1-isoindolinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.26
ACD/KOC (pH 5.5): 707.79
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.26
ACD/KOC (pH 7.4): 707.79
Polar Surface Area: 59 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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