Found 1 result

Search term: WLSIIBHMNYNDNS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-(3-Fluorophenyl)-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1(2H)-isoquinolinone | C21H23FN2O

6-(3-Fluorophenyl)-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC21H23FN2O
  • Average mass338.418 Da
  • Monoisotopic mass338.179443 Da
  • ChemSpider ID28505799

More details:

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

1(2H)-Isoquinolinone, 6-(3-fluorophenyl)-3,4-dihydro-2-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
6-(3-Fluorophényl)-2-[2-(1-pyrrolidinyl)éthyl]-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-(3-Fluorophenyl)-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-(3-Fluorphenyl)-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.78
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 64.59
Polar Surface Area: 24 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 286.7±3.0 cm3

Click to predict properties on the Chemicalize site


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