ChemSpider 2D Image | (2R)-2-[({3-Fluoro-6-[5-(trifluoromethyl)-1,3-dihydro-2H-isoindol-2-yl]-2-pyridinyl}methyl)amino]-3-methyl-1-butanol | C20H23F4N3O

(2R)-2-[({3-Fluoro-6-[5-(trifluoromethyl)-1,3-dihydro-2H-isoindol-2-yl]-2-pyridinyl}methyl)amino]-3-methyl-1-butanol

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID58889414

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[({3-Fluor-6-[5-(trifluormethyl)-1,3-dihydro-2H-isoindol-2-yl]-2-pyridinyl}methyl)amino]-3-methyl-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-[({3-Fluoro-6-[5-(trifluoromethyl)-1,3-dihydro-2H-isoindol-2-yl]-2-pyridinyl}methyl)amino]-3-methyl-1-butanol [ACD/IUPAC Name]
(2R)-2-[({3-Fluoro-6-[5-(trifluorométhyl)-1,3-dihydro-2H-isoindol-2-yl]-2-pyridinyl}méthyl)amino]-3-méthyl-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-[[[6-[1,3-dihydro-5-(trifluoromethyl)-2H-isoindol-2-yl]-3-fluoro-2-pyridinyl]methyl]amino]-3-methyl-, (2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.8±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 110.51
ACD/KOC (pH 5.5): 630.87
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.26
ACD/KOC (pH 7.4): 3135.48
Polar Surface Area: 48 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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