Found 164 results

Search term: MF = 'C_{17}H_{18}FN_{3}S'
ChemSpider 2D Image | 1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl}-4-methyl-4-piperidinecarbonitrile | C17H18FN3S

1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl}-4-methyl-4-piperidinecarbonitrile

  • Molecular FormulaC17H18FN3S
  • Average mass315.408 Da
  • Monoisotopic mass315.120544 Da
  • ChemSpider ID30425176

More details:

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

1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methyl}-4-methyl-4-piperidinecarbonitrile [ACD/IUPAC Name]
1-{[2-(4-Fluorophényl)-1,3-thiazol-4-yl]méthyl}-4-méthyl-4-pipéridinecarbonitrile [French] [ACD/IUPAC Name]
1-{[2-(4-Fluorphenyl)-1,3-thiazol-4-yl]methyl}-4-methyl-4-piperidincarbonitril [German] [ACD/IUPAC Name]
4-Piperidinecarbonitrile, 1-[[2-(4-fluorophenyl)-4-thiazolyl]methyl]-4-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 460.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.1±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 83.37
ACD/KOC (pH 5.5): 709.20
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.96
ACD/KOC (pH 7.4): 1199.03
Polar Surface Area: 68 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 250.1±5.0 cm3

Click to predict properties on the Chemicalize site


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