oxane-4-sulfonyl fluoride

• ChemBase ID: 277979
• Molecular Formular: C5H9FO3S
• Molecular Mass: 168.1865632
• Monoisotopic Mass: 168.02564337
• SMILES: S(=O)(=O)(C1CCOCC1)F
• Canonical SMILES: FS(=O)(=O)C1CCOCC1
• InChI: InChI=1S/C5H9FO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2
• InChIKey: NOECGOQFZUPHLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxane-4-sulfonyl fluoride
• IUPAC Traditional name: oxane-4-sulfonyl fluoride
• Synonyms: oxane-4-sulfonyl fluoride

Database IDs

• MDL Number: MFCD19982472
• PubChem SID: 164333889
• PubChem CID: 54594802

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.21700197
• LogD (pH = 7.4): -0.21700197
• Log P: -0.21700197
• Molar Refractivity: 34.1913 cm^3
• Polarizability: 14.043292 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.312

Product Information

• Purity: 95%