3-chloropropane-1-sulfonyl fluoride

• ChemBase ID: 268149
• Molecular Formular: C3H6ClFO2S
• Molecular Mass: 160.5949432
• Monoisotopic Mass: 159.97610633
• SMILES: S(=O)(=O)(F)CCCCl
• Canonical SMILES: ClCCCS(=O)(=O)F
• InChI: InChI=1S/C3H6ClFO2S/c4-2-1-3-8(5,6)7/h1-3H2
• InChIKey: UCAROYMFHLNNNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16622058
• PubChem SID: 164324059
• PubChem CID: 47003234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3940723
• LogD (pH = 7.4): 0.3940723
• Log P: 0.3940723
• Molar Refractivity: 29.8007 cm^3
• Polarizability: 12.312959 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.977

Product Information

• Purity: 95%