oxolan-3-ylmethanesulfonyl fluoride

• ChemBase ID: 271542
• Molecular Formular: C5H9FO3S
• Molecular Mass: 168.1865632
• Monoisotopic Mass: 168.02564337
• SMILES: S(=O)(=O)(CC1COCC1)F
• Canonical SMILES: FS(=O)(=O)CC1COCC1
• InChI: InChI=1S/C5H9FO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2
• InChIKey: MYVHNJXPKIQJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-3-ylmethanesulfonyl fluoride
• IUPAC Traditional name: oxolan-3-ylmethanesulfonyl fluoride
• Synonyms: oxolan-3-ylmethanesulfonyl fluoride

Database IDs

• MDL Number: MFCD17977144
• PubChem SID: 164327452
• PubChem CID: 50989451

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.31160238
• LogD (pH = 7.4): -0.31160238
• Log P: -0.31160238
• Molar Refractivity: 34.1857 cm^3
• Polarizability: 14.043236 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.122

Product Information

• Purity: 95%