ChemSpider 2D Image | 1-{2-[(4-Fluorobenzyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea | C21H16F4N2OS

1-{2-[(4-Fluorobenzyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC21H16F4N2OS
  • Average mass420.423 Da
  • Monoisotopic mass420.091949 Da
  • ChemSpider ID23928987

More details:

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

1-{2-[(4-Fluorbenzyl)sulfanyl]phenyl}-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{2-[(4-Fluorobenzyl)sulfanyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{2-[(4-Fluorobenzyl)sulfanyl]phényl}-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[(4-fluorophenyl)methyl]thio]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [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: 425.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.2±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6719.66
ACD/KOC (pH 5.5): 19107.60
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6719.34
ACD/KOC (pH 7.4): 19106.70
Polar Surface Area: 66 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 304.0±5.0 cm3

Click to predict properties on the Chemicalize site


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