5-fluoro-1-benzofuran

• ChemBase ID: 180338
• Molecular Formular: C8H5FO
• Molecular Mass: 136.1231032
• Monoisotopic Mass: 136.032443
• SMILES: o1ccc2c1ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)cco2
• InChI: InChI=1S/C8H5FO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
• InChIKey: FTVHMXRCGNWCOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-benzofuran
• IUPAC Traditional name: 5-fluoro-1-benzofuran
• Synonyms: 5-Fluorobenzofuran

Database IDs

• CAS Number: 24410-59-1
• PubChem SID: 164236248
• PubChem CID: 11788322

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2750711
• LogD (pH = 7.4): 2.2750711
• Log P: 2.2750711
• Molar Refractivity: 35.1155 cm^3
• Polarizability: 14.350366 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true