2-methoxyethane-1-sulfonyl fluoride

• ChemBase ID: 267668
• Molecular Formular: C3H7FO3S
• Molecular Mass: 142.1492832
• Monoisotopic Mass: 142.0099933
• SMILES: S(=O)(=O)(CCOC)F
• Canonical SMILES: COCCS(=O)(=O)F
• InChI: InChI=1S/C3H7FO3S/c1-7-2-3-8(4,5)6/h2-3H2,1H3
• InChIKey: HGUWYEMJEIBZLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethane-1-sulfonyl fluoride
• IUPAC Traditional name: 2-methoxyethanesulfonyl fluoride
• Synonyms: 2-methoxyethane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD18917239
• PubChem SID: 164323578
• PubChem CID: 18951510

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3773528
• LogD (pH = 7.4): -0.3773528
• Log P: -0.3773528
• Molar Refractivity: 26.6355 cm^3
• Polarizability: 11.14806 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0

Product Information

• Purity: 95%