ChemSpider 2D Image | Methyl ({1-[4-(trifluoromethyl)benzoyl]-3-pyrrolidinyl}sulfanyl)acetate | C15H16F3NO3S

Methyl ({1-[4-(trifluoromethyl)benzoyl]-3-pyrrolidinyl}sulfanyl)acetate

  • Molecular FormulaC15H16F3NO3S
  • Average mass347.353 Da
  • Monoisotopic mass347.080292 Da
  • ChemSpider ID32690878

More details:

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

({1-[4-(Trifluorométhyl)benzoyl]-3-pyrrolidinyl}sulfanyl)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[1-[4-(trifluoromethyl)benzoyl]-3-pyrrolidinyl]thio]-, methyl ester [ACD/Index Name]
Methyl ({1-[4-(trifluoromethyl)benzoyl]-3-pyrrolidinyl}sulfanyl)acetate [ACD/IUPAC Name]
Methyl-({1-[4-(trifluormethyl)benzoyl]-3-pyrrolidinyl}sulfanyl)acetat [German] [ACD/IUPAC Name]
2034355-74-1 [RN]
methyl 2-((1-(4-(trifluoromethyl)benzoyl)pyrrolidin-3-yl)thio)acetate
methyl 2-({1-[4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl}sulfanyl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 444.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.3±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.54
ACD/KOC (pH 5.5): 732.33
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.54
ACD/KOC (pH 7.4): 732.33
Polar Surface Area: 72 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 255.3±5.0 cm3

Click to predict properties on the Chemicalize site


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