ChemSpider 2D Image | (1S)-1-{3-[Cyclopropyl(methyl)amino]propyl}-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | C22H23FN2O

(1S)-1-{3-[Cyclopropyl(methyl)amino]propyl}-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

  • Molecular FormulaC22H23FN2O
  • Average mass350.429 Da
  • Monoisotopic mass350.179443 Da
  • ChemSpider ID28538949

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-{3-[Cyclopropyl(methyl)amino]propyl}-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile [ACD/IUPAC Name]
(1S)-1-{3-[Cyclopropyl(méthyl)amino]propyl}-1-(4-fluorophényl)-1,3-dihydro-2-benzofurane-5-carbonitrile [French] [ACD/IUPAC Name]
(1S)-1-{3-[Cyclopropyl(methyl)amino]propyl}-1-(4-fluorphenyl)-1,3-dihydro-2-benzofuran-5-carbonitril [German] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-[3-(cyclopropylmethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)- [ACD/Index Name]
(1S)-1-{3-[CYCLOPROPYL(METHYL)AMINO]PROPYL}-1-(4-FLUOROPHENYL)-3H-2-BENZOFURAN-5-CARBONITRILE
(S)-1-[3-(Cyclopropylmethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzo[b]furan-5-carbonitrile
(S)-1-[3-(Cyclopropyl-methyl-amino)-propyl]-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonit
(S)-1-[3-(Cyclopropyl-methyl-amino)-propyl]-1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
(S)-1-[3-(Cyclopropyl-methyl-amino)-propyl]-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
1421026-41-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 471.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 17.80
ACD/KOC (pH 7.4): 113.54
Polar Surface Area: 36 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 286.8±5.0 cm3

Click to predict properties on the Chemicalize site


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