ChemSpider 2D Image | [2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl](3,3,4,4-tetrafluoro-1-pyrrolidinyl)methanone | C14H13F4N3O2S

[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl](3,3,4,4-tetrafluoro-1-pyrrolidinyl)methanone

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID63109760

More details:






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

[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl](3,3,4,4-tetrafluor-1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
[2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl](3,3,4,4-tetrafluoro-1-pyrrolidinyl)methanone [ACD/IUPAC Name]
[2-(3,5-Diméthyl-1,2-oxazol-4-yl)-4-méthyl-1,3-thiazol-5-yl](3,3,4,4-tétrafluoro-1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-(3,5-dimethyl-4-isoxazolyl)-4-methyl-5-thiazolyl](3,3,4,4-tetrafluoro-1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.2±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.94
ACD/KOC (pH 5.5): 192.89
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.94
ACD/KOC (pH 7.4): 192.90
Polar Surface Area: 87 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 243.2±5.0 cm3

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