5-(2-fluorophenyl)furan-2-carbaldehyde

• ChemBase ID: 16822
• Molecular Formular: C11H7FO2
• Molecular Mass: 190.1704832
• Monoisotopic Mass: 190.04300768
• SMILES: c1(c2c(cccc2)F)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)c1ccccc1F
• InChI: InChI=1S/C11H7FO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
• InChIKey: KGGOAPVMWNGAQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(2-fluorophenyl)furan-2-carbaldehyde
• Synonyms: 5-(2-fluorophenyl)furan-2-carbaldehyde; 5-(2-Fluoro-phenyl)-furan-2-carbaldehyde; 5-(2-fluorophenyl)-2-furaldehyde

Database IDs

• CAS Number: 380566-25-6
• MDL Number: MFCD02615123
• PubChem SID: 160980129
• PubChem CID: 960559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4559233
• LogD (pH = 7.4): 2.4559233
• Log P: 2.4559233
• Molar Refractivity: 50.263 cm^3
• Polarizability: 19.702509 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66 - 68°C
• Hydrophobicity(logP): 2.937

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%