ChemSpider 2D Image | 6-{[(3R,4R)-4-(2-{[2,2-Difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C21H27F3N4O

6-{[(3R,4R)-4-(2-{[2,2-Difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID26325572

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 6-[[(3R,4R)-4-[2-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-(2-{[2,2-Difluor-2-(4-fluorphenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[2,2-Difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[2,2-Difluoro-2-(4-fluorophényl)éthyl]amino}éthoxy)-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-(2-{[2,2-Difluoro-2-(4-Fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
3XC

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.99
Polar Surface Area: 72 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

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