ChemSpider 2D Image | (5-Fluoro-2-methoxyphenyl){4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}acetic acid | C21H21F4NO4

(5-Fluoro-2-methoxyphenyl){4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}acetic acid

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID67898030

More details:

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

(5-Fluor-2-methoxyphenyl){4-hydroxy-4-[3-(trifluormethyl)phenyl]-1-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
(5-Fluoro-2-methoxyphenyl){4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}acetic acid [ACD/IUPAC Name]
1-Piperidineacetic acid, α-(5-fluoro-2-methoxyphenyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Acide (5-fluoro-2-méthoxyphényl){4-hydroxy-4-[3-(trifluorométhyl)phényl]-1-pipéridinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 530.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.7±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 70 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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