5-(1,3-dioxolan-2-yl)-2-fluorobenzaldehyde

• ChemBase ID: 801722
• Molecular Formular: C10H9FO3
• Molecular Mass: 196.1750632
• Monoisotopic Mass: 196.05357237
• SMILES: c1(c(ccc(c1)C1OCCO1)F)C=O
• Canonical SMILES: O=Cc1cc(ccc1F)C1OCCO1
• InChI: InChI=1S/C10H9FO3/c11-9-2-1-7(5-8(9)6-12)10-13-3-4-14-10/h1-2,5-6,10H,3-4H2
• InChIKey: YKDPLUKRMOJQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,3-dioxolan-2-yl)-2-fluorobenzaldehyde
• IUPAC Traditional name: 5-(1,3-dioxolan-2-yl)-2-fluorobenzaldehyde
• Synonyms: 5-(1,3-DIOXOLAN-2-YL)-2-FLUOROBENZALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8116045
• LogD (pH = 7.4): 1.8116045
• Log P: 1.8116045
• Molar Refractivity: 48.2376 cm^3
• Polarizability: 18.1496 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%