ChemSpider 2D Image | (2R)-3-{[4-(4-Chloro-3-ethylphenoxy)-2-pyrimidinyl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoro-2-propanol | C24H21ClF7N3O3

(2R)-3-{[4-(4-Chloro-3-ethylphenoxy)-2-pyrimidinyl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoro-2-propanol

  • Molecular FormulaC24H21ClF7N3O3
  • Average mass567.884 Da
  • Monoisotopic mass567.115967 Da
  • ChemSpider ID9810238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[4-(4-Chlor-3-ethylphenoxy)-2-pyrimidinyl][3-(1,1,2,2-tetrafluorethoxy)benzyl]amino}-1,1,1-trifluor-2-propanol [German] [ACD/IUPAC Name]
(2R)-3-{[4-(4-Chloro-3-ethylphenoxy)-2-pyrimidinyl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoro-2-propanol [ACD/IUPAC Name]
(2R)-3-{[4-(4-Chloro-3-éthylphénoxy)-2-pyrimidinyl][3-(1,1,2,2-tétrafluoroéthoxy)benzyl]amino}-1,1,1-trifluoro-2-propanol [French] [ACD/IUPAC Name]
(2r)-3-{[4-(4-Chloro-3-Ethylphenoxy)pyrimidin-2-Yl][3-(1,1,2,2-Tetrafluoroethoxy)benzyl]amino}-1,1,1-Trifluoropropan-2-Ol
2-Propanol, 3-[[4-(4-chloro-3-ethylphenoxy)-2-pyrimidinyl][[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-, (2R)- [ACD/Index Name]
0SF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 637966.88
ACD/KOC (pH 5.5): 493872.63
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 653555.31
ACD/KOC (pH 7.4): 505940.19
Polar Surface Area: 68 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 399.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement