Found 60 results

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

2-(4-Fluorophenyl)-N-{[(2,2,2-trifluoroethyl)sulfanyl]acetyl}alanine

  • Molecular FormulaC13H13F4NO3S
  • Average mass339.306 Da
  • Monoisotopic mass339.055237 Da
  • ChemSpider ID58073028

More details:

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

2-(4-Fluorophenyl)-N-{[(2,2,2-trifluoroethyl)sulfanyl]acetyl}alanine [ACD/IUPAC Name]
2-(4-Fluorophényl)-N-{2-[(2,2,2-trifluoroéthyl)sulfanyl]acétyl}alanine [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-N-{[(2,2,2-trifluorethyl)sulfanyl]acetyl}alanin [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-fluoro-α-methyl-α-[[2-[(2,2,2-trifluoroethyl)thio]acetyl]amino]- [ACD/Index 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: 462.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.3±28.7 °C
Index of Refraction: 1.511
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement