Found 60 results

Search term: MF = 'C_{13}H_{13}F_{4}NO_{3}S'
ChemSpider 2D Image | N-(4-Fluorobenzyl)-N-{[(2,2,2-trifluoroethyl)sulfanyl]acetyl}glycine | C13H13F4NO3S

N-(4-Fluorobenzyl)-N-{[(2,2,2-trifluoroethyl)sulfanyl]acetyl}glycine

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID58042052

More details:

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

Glycine, N-[(4-fluorophenyl)methyl]-N-[2-[(2,2,2-trifluoroethyl)thio]acetyl]- [ACD/Index Name]
N-(4-Fluorbenzyl)-N-{[(2,2,2-trifluorethyl)sulfanyl]acetyl}glycin [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-N-{[(2,2,2-trifluoroethyl)sulfanyl]acetyl}glycine [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-N-{2-[(2,2,2-trifluoroéthyl)sulfanyl]acétyl}glycine [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: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 223.0±28.7 °C
Index of Refraction: 1.522
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site


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