ChemSpider 2D Image | 4,4,4-Trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone | C14H15F3N4O2S

4,4,4-Trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone

  • Molecular FormulaC14H15F3N4O2S
  • Average mass360.355 Da
  • Monoisotopic mass360.086792 Da
  • ChemSpider ID26325553

More details:

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

1-Butanone, 4,4,4-trifluoro-1-[4-[3-(2-thiazolyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]- [ACD/Index Name]
4,4,4-Trifluor-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]
4,4,4-Trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}-1-butanone [French] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-{4-[3-(1,3-Thiazol-2-Yl)-1,2,4-Oxadiazol-5-Yl]piperidin-1-Yl}butan-1-One
3SE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 505.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.2±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.92
ACD/KOC (pH 5.5): 487.27
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.92
ACD/KOC (pH 7.4): 487.27
Polar Surface Area: 100 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement