3-methoxypropane-1-sulfonyl fluoride

• ChemBase ID: 286148
• Molecular Formular: C4H9FO3S
• Molecular Mass: 156.1758632
• Monoisotopic Mass: 156.02564337
• SMILES: S(=O)(=O)(F)CCCOC
• Canonical SMILES: COCCCS(=O)(=O)F
• InChI: InChI=1S/C4H9FO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3
• InChIKey: HKLSECKCOSGZFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypropane-1-sulfonyl fluoride
• IUPAC Traditional name: 3-methoxypropane-1-sulfonyl fluoride
• Synonyms: 3-methoxypropane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD21602720
• PubChem SID: 180671679
• PubChem CID: 46899852

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.31739306
• LogD (pH = 7.4): -0.31739306
• Log P: -0.31739306
• Molar Refractivity: 31.5009 cm^3
• Polarizability: 12.933475 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.371

Product Information

• Purity: 95%