butane-1-sulfonyl fluoride

• ChemBase ID: 262928
• Molecular Formular: C4H9FO2S
• Molecular Mass: 140.1764632
• Monoisotopic Mass: 140.03072875
• SMILES: S(=O)(=O)(F)CCCC
• Canonical SMILES: CCCCS(=O)(=O)F
• InChI: InChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
• InChIKey: NHGWSCVQFRCBSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane-1-sulfonyl fluoride
• IUPAC Traditional name: 1-butanesulfonyl fluoride
• Synonyms: butane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD00798805
• PubChem SID: 164318838
• PubChem CID: 12615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.99352175
• LogD (pH = 7.4): 0.99352175
• Log P: 0.99352175
• Molar Refractivity: 29.4656 cm^3
• Polarizability: 12.150819 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.643

Product Information

• Purity: 95%