5-fluoro-3-methyl-1-benzofuran

• ChemBase ID: 234974
• Molecular Formular: C9H7FO
• Molecular Mass: 150.1496832
• Monoisotopic Mass: 150.04809306
• SMILES: c12c(coc1ccc(c2)F)C
• Canonical SMILES: Fc1ccc2c(c1)c(C)co2
• InChI: InChI=1S/C9H7FO/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
• InChIKey: LZVAHYZQDSUVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-3-methyl-1-benzofuran
• IUPAC Traditional name: 5-fluoro-3-methyl-1-benzofuran
• Synonyms: 5-fluoro-3-methyl-1-benzofuran

Database IDs

• MDL Number: MFCD13191783
• PubChem SID: 164290884
• PubChem CID: 11679847

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7884924
• LogD (pH = 7.4): 2.7884924
• Log P: 2.7884924
• Molar Refractivity: 40.1567 cm^3
• Polarizability: 16.113573 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.344

Product Information

• Purity: 95%