5-fluoro-1-benzofuran-2-carbaldehyde

• ChemBase ID: 279448
• Molecular Formular: C9H5FO2
• Molecular Mass: 164.1332032
• Monoisotopic Mass: 164.02735762
• SMILES: o1c(cc2c1ccc(c2)F)C=O
• Canonical SMILES: O=Cc1cc2c(o1)ccc(c2)F
• InChI: InChI=1S/C9H5FO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
• InChIKey: HAZDVFKNOIHCBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1-benzofuran-2-carbaldehyde
• IUPAC Traditional name: 5-fluoro-1-benzofuran-2-carbaldehyde
• Synonyms: 5-fluoro-1-benzofuran-2-carbaldehyde

Database IDs

• MDL Number: MFCD20441549
• PubChem SID: 164335358
• PubChem CID: 10844747

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9075747
• LogD (pH = 7.4): 1.9075747
• Log P: 1.9075747
• Molar Refractivity: 41.577 cm^3
• Polarizability: 16.27271 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.29

Product Information

• Purity: 95%