ChemSpider 2D Image | (3-{[4-(Aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)[(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]methanone | C18H17F4N3O3

(3-{[4-(Aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)[(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]methanone

  • Molecular FormulaC18H17F4N3O3
  • Average mass399.340 Da
  • Monoisotopic mass399.120605 Da
  • ChemSpider ID68025352

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3-{[4-(Aminomethyl)-6-(trifluormethyl)-2-pyridinyl]oxy}phenyl)[(3R,4R)-3-fluor-4-hydroxy-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
(3-{[4-(Aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)[(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(3-{[4-(Aminométhyl)-6-(trifluorométhyl)-2-pyridinyl]oxy}phényl)[(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl][(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]- [ACD/Index Name]
2007885-39-2 [RN]
MFCD31657357
PAT-1251

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.08
Polar Surface Area: 89 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 269.6±5.0 cm3

Click to predict properties on the Chemicalize site


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