2-fluoroethane-1-sulfonyl fluoride

• ChemBase ID: 278507
• Molecular Formular: C2H4F2O2S
• Molecular Mass: 130.1137664
• Monoisotopic Mass: 129.99000681
• SMILES: S(=O)(=O)(CCF)F
• Canonical SMILES: FCCS(=O)(=O)F
• InChI: InChI=1S/C2H4F2O2S/c3-1-2-7(4,5)6/h1-2H2
• InChIKey: ZKZVVDJBUKDJON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoroethane-1-sulfonyl fluoride
• IUPAC Traditional name: 2-fluoroethanesulfonyl fluoride
• Synonyms: 2-fluoroethane-1-sulfonyl fluoride

Database IDs

• MDL Number: MFCD01728634
• PubChem SID: 164334417
• PubChem CID: 68029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.12938753
• LogD (pH = 7.4): -0.12938753
• Log P: -0.12938753
• Molar Refractivity: 20.1922 cm^3
• Polarizability: 8.555469 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.308

Product Information

• Purity: 95%