ChemSpider 2D Image | (2S)-1,1,1-Trifluoro-3-{(3-phenoxyphenyl)[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-2-propanol | C24H20F7NO3

(2S)-1,1,1-Trifluoro-3-{(3-phenoxyphenyl)[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-2-propanol

  • Molecular FormulaC24H20F7NO3
  • Average mass503.409 Da
  • Monoisotopic mass503.133148 Da
  • ChemSpider ID8111481

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,1-Trifluor-3-{(3-phenoxyphenyl)[3-(1,1,2,2-tetrafluorethoxy)benzyl]amino}-2-propanol [German] [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-3-{(3-phenoxyphenyl)[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-2-propanol [ACD/IUPAC Name]
(2S)-1,1,1-Trifluoro-3-{(3-phénoxyphényl)[3-(1,1,2,2-tétrafluoroéthoxy)benzyl]amino}-2-propanol [French] [ACD/IUPAC Name]
(2S)-1,1,1-trifluoro-3-{(3-phenoxyphenyl)[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}propan-2-ol
2-Propanol, 1,1,1-trifluoro-3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-, (2S)- [ACD/Index Name]
(2S)-1,1,1-trifluoro-3-[(3-phenoxyphenyl)({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl})amino]propan-2-ol
CHEMBL340310
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL340310/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.8±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101307.13
ACD/KOC (pH 5.5): 133229.22
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101316.59
ACD/KOC (pH 7.4): 133241.64
Polar Surface Area: 42 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

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