4-fluoro-1,2-oxazole

• ChemBase ID: 813871
• Molecular Formular: C3H2FNO
• Molecular Mass: 87.0524832
• Monoisotopic Mass: 87.01204191
• SMILES: o1ncc(c1)F
• Canonical SMILES: Fc1conc1
• InChI: InChI=1S/C3H2FNO/c4-3-1-5-6-2-3/h1-2H
• InChIKey: WLAWZTJRKADHFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1,2-oxazole
• IUPAC Traditional name: 4-fluoro-1,2-oxazole
• Synonyms: 4-fluoroisoxazole

Database IDs

• CAS Number: 957370-22-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.48049316
• LogD (pH = 7.4): 0.48049316
• Log P: 0.48049316
• Molar Refractivity: 17.7164 cm^3
• Polarizability: 6.226616 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%