propane-1-sulfonyl fluoride

• ChemBase ID: 263106
• Molecular Formular: C3H7FO2S
• Molecular Mass: 126.1498832
• Monoisotopic Mass: 126.01507868
• SMILES: S(=O)(=O)(F)CCC
• Canonical SMILES: CCCS(=O)(=O)F
• InChI: InChI=1S/C3H7FO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
• InChIKey: ZTYOGLNTEZDFOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-1-sulfonyl fluoride
• IUPAC Traditional name: propane-1-sulfonyl fluoride
• Synonyms: propane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD13195972
• PubChem SID: 164319016
• PubChem CID: 13721938

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.54895306
• LogD (pH = 7.4): 0.54895306
• Log P: 0.54895306
• Molar Refractivity: 24.8646 cm^3
• Polarizability: 10.354614 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.114

Product Information

• Purity: 95%