2-methylbutane-1-sulfonyl fluoride

• ChemBase ID: 274193
• Molecular Formular: C5H11FO2S
• Molecular Mass: 154.2030432
• Monoisotopic Mass: 154.04637881
• SMILES: S(=O)(=O)(CC(CC)C)F
• Canonical SMILES: CCC(CS(=O)(=O)F)C
• InChI: InChI=1S/C5H11FO2S/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3
• InChIKey: LJDVBOOLADPRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbutane-1-sulfonyl fluoride
• IUPAC Traditional name: 2-methylbutane-1-sulfonyl fluoride
• Synonyms: 2-methylbutane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD18785626
• PubChem SID: 164330103
• PubChem CID: 22935853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3584945
• LogD (pH = 7.4): 1.3584945
• Log P: 1.3584945
• Molar Refractivity: 33.9372 cm^3
• Polarizability: 13.956948 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.042

Product Information

• Purity: 95%