2-fluoroethane-1-sulfonyl chloride

• ChemBase ID: 278506
• Molecular Formular: C2H4ClFO2S
• Molecular Mass: 146.5683632
• Monoisotopic Mass: 145.96045627
• SMILES: S(=O)(=O)(CCF)Cl
• Canonical SMILES: FCCS(=O)(=O)Cl
• InChI: InChI=1S/C2H4ClFO2S/c3-7(5,6)2-1-4/h1-2H2
• InChIKey: OIMIESCACWPSOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01728633
• PubChem SID: 164334416
• PubChem CID: 69806

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.15820172
• LogD (pH = 7.4): 0.15820172
• Log P: 0.15820172
• Molar Refractivity: 24.8272 cm^3
• Polarizability: 10.578021 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.081

Product Information

• Purity: 95%