ChemSpider 2D Image | 1-(1-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-2-pyrrolidinyl)cyclopropanol | C21H23ClFNO2

1-(1-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-2-pyrrolidinyl)cyclopropanol

  • Molecular FormulaC21H23ClFNO2
  • Average mass375.864 Da
  • Monoisotopic mass375.140137 Da
  • ChemSpider ID77493313

More details:

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

1-(1-{2-[(2-Chlor-6-fluorbenzyl)oxy]benzyl}-2-pyrrolidinyl)cyclopropanol [German] [ACD/IUPAC Name]
1-(1-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-2-pyrrolidinyl)cyclopropanol [ACD/IUPAC Name]
1-(1-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-2-pyrrolidinyl)cyclopropanol [French] [ACD/IUPAC Name]
Cyclopropanol, 1-[1-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-2-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.2±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 18.52
ACD/KOC (pH 7.4): 74.80
Polar Surface Area: 33 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

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