Found 164 results

Search term: MF = 'C_{17}H_{18}FN_{3}S'
ChemSpider 2D Image | 4-Fluoro-3-{[4-(3-thienylmethyl)-1-piperazinyl]methyl}benzonitrile | C17H18FN3S

4-Fluoro-3-{[4-(3-thienylmethyl)-1-piperazinyl]methyl}benzonitrile

  • Molecular FormulaC17H18FN3S
  • Average mass315.408 Da
  • Monoisotopic mass315.120544 Da
  • ChemSpider ID21698935

More details:

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

4-Fluor-3-{[4-(3-thienylmethyl)-1-piperazinyl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-Fluoro-3-{[4-(3-thienylmethyl)-1-piperazinyl]methyl}benzonitrile [ACD/IUPAC Name]
4-Fluoro-3-{[4-(3-thiénylméthyl)-1-pipérazinyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-fluoro-3-[[4-(3-thienylmethyl)-1-piperazinyl]methyl]- [ACD/Index Name]
4-FLUORO-3-({4-[(THIOPHEN-3-YL)METHYL]PIPERAZIN-1-YL}METHYL)BENZONITRILE
4-FLUORO-3-{[4-(THIOPHEN-3-YLMETHYL)PIPERAZIN-1-YL]METHYL}BENZONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.1±27.3 °C
Index of Refraction: 1.629
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 23.44
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 32.62
ACD/KOC (pH 7.4): 394.98
Polar Surface Area: 59 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 247.0±5.0 cm3

Click to predict properties on the Chemicalize site


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