4-fluoro-2,3-dihydro-1H-indole hydrochloride

• ChemBase ID: 293010
• Molecular Formular: C8H9ClFN
• Molecular Mass: 173.6151632
• Monoisotopic Mass: 173.04075519
• SMILES: Fc1cccc2c1CCN2.Cl
• Canonical SMILES: Fc1cccc2c1CCN2.Cl
• InChI: InChI=1S/C8H8FN.ClH/c9-7-2-1-3-8-6(7)4-5-10-8;/h1-3,10H,4-5H2;1H
• InChIKey: BAAOQJCQVVMLQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,3-dihydro-1H-indole hydrochloride
• IUPAC Traditional name: 4-fluoro-2,3-dihydro-1H-indole hydrochloride
• Synonyms: 4-Fluoroindoline hydrochloride

Database IDs

• CAS Number: 1210147-74-2
• PubChem SID: 180678541
• PubChem CID: 45789740

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6162869
• LogD (pH = 7.4): 1.628457
• Log P: 1.6286144
• Molar Refractivity: 39.7778 cm^3
• Polarizability: 14.0055485 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%