ChemSpider 2D Image | 6-{[(3R,4R)-4-(2-{[2-(3-Chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C21H26ClF3N4O

6-{[(3R,4R)-4-(2-{[2-(3-Chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC21H26ClF3N4O
  • Average mass442.905 Da
  • Monoisotopic mass442.174713 Da
  • ChemSpider ID26327042

  • 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-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-(2-{[2-(3-Chlor-5-fluorphenyl)-2,2-difluorethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[2-(3-Chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[2-(3-Chloro-5-fluorophényl)-2,2-difluoroéthyl]amino}éthoxy)-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-(2-{[2-(3-Chloro-5-Fluorophenyl)-2,2-Difluoroethyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
JK5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 16.50
Polar Surface Area: 72 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 338.4±5.0 cm3

Click to predict properties on the Chemicalize site


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