propane-2-sulfonyl fluoride

• ChemBase ID: 262639
• Molecular Formular: C3H7FO2S
• Molecular Mass: 126.1498832
• Monoisotopic Mass: 126.01507868
• SMILES: S(=O)(=O)(F)C(C)C
• Canonical SMILES: CC(S(=O)(=O)F)C
• InChI: InChI=1S/C3H7FO2S/c1-3(2)7(4,5)6/h3H,1-2H3
• InChIKey: NFXYJSUNHPISQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-2-sulfonyl fluoride
• IUPAC Traditional name: propane-2-sulfonyl fluoride
• Synonyms: propane-2-sulfonyl fluoride

Database IDs

• MDL Number: MFCD12913207
• PubChem SID: 164318549
• PubChem CID: 14906825

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.59519494
• LogD (pH = 7.4): 0.59519494
• Log P: 0.59519494
• Molar Refractivity: 24.8832 cm^3
• Polarizability: 10.354664 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.894

Product Information

• Purity: 95%