ethanesulfonyl fluoride

• ChemBase ID: 262638
• Molecular Formular: C2H5FO2S
• Molecular Mass: 112.1233032
• Monoisotopic Mass: 111.99942862
• SMILES: S(=O)(=O)(F)CC
• Canonical SMILES: CCS(=O)(=O)F
• InChI: InChI=1S/C2H5FO2S/c1-2-6(3,4)5/h2H2,1H3
• InChIKey: OIBMEBLCOQCFIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanesulfonyl fluoride
• IUPAC Traditional name: ethanesulfonyl fluoride
• Synonyms: ethanesulfonyl fluoride

Database IDs

• MDL Number: MFCD00039749
• PubChem SID: 164318548
• PubChem CID: 522584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.026430666
• LogD (pH = 7.4): 0.026430666
• Log P: 0.026430666
• Molar Refractivity: 20.3406 cm^3
• Polarizability: 8.572429 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.585

Product Information

• Purity: 95%