ChemSpider 2D Image | [4-({2-Methoxy-3-[4-(trifluoromethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]acetic acid | C20H21F3O5S

[4-({2-Methoxy-3-[4-(trifluoromethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]acetic acid

  • Molecular FormulaC20H21F3O5S
  • Average mass430.438 Da
  • Monoisotopic mass430.106171 Da
  • ChemSpider ID23286112

More details:

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

[4-({2-Methoxy-3-[4-(trifluormethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]essigsäure [German] [ACD/IUPAC Name]
[4-({2-Methoxy-3-[4-(trifluoromethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[[2-methoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]- [ACD/Index Name]
Acide [4-({2-méthoxy-3-[4-(trifluorométhyl)phénoxy]propyl}sulfanyl)-2-méthylphénoxy]acétique [French] [ACD/IUPAC Name]
2-(4-(2-methoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CHEMBL230372

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 17.60
ACD/KOC (pH 5.5): 60.05
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 90 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 322.1±5.0 cm3

Click to predict properties on the Chemicalize site


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