7-fluoro-2,3-dihydro-1H-indole

• ChemBase ID: 285950
• Molecular Formular: C8H8FN
• Molecular Mass: 137.1542232
• Monoisotopic Mass: 137.06407748
• SMILES: c12NCCc2cccc1F
• Canonical SMILES: Fc1cccc2c1NCC2
• InChI: InChI=1S/C8H8FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
• InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2,3-dihydro-1H-indole
• IUPAC Traditional name: 7-fluoro-2,3-dihydro-1H-indole
• Synonyms: 7-fluoro-2,3-dihydro-1H-indole

Database IDs

• MDL Number: MFCD09041825
• PubChem SID: 180671481
• PubChem CID: 16768261

CALCULATED PROPERTIES

• Acid pKa: 17.734592
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.626699
• LogD (pH = 7.4): 1.6285902
• Log P: 1.6286144
• Molar Refractivity: 39.7778 cm^3
• Polarizability: 14.005409 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.221

Product Information

• Purity: 95%