2,2-difluoroethane-1-sulfonyl chloride

• ChemBase ID: 272749
• Molecular Formular: C2H3ClF2O2S
• Molecular Mass: 164.5588264
• Monoisotopic Mass: 163.95103446
• SMILES: S(=O)(=O)(CC(F)F)Cl
• Canonical SMILES: FC(CS(=O)(=O)Cl)F
• InChI: InChI=1S/C2H3ClF2O2S/c3-8(6,7)1-2(4)5/h2H,1H2
• InChIKey: WTNIHKYYNJGJRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoroethane-1-sulfonyl chloride
• IUPAC Traditional name: 2,2-difluoroethanesulfonyl chloride
• Synonyms: 2,2-difluoroethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD16990719
• PubChem SID: 164328659
• PubChem CID: 50989405

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.42354771
• LogD (pH = 7.4): 0.42354771
• Log P: 0.42354771
• Molar Refractivity: 24.7874 cm^3
• Polarizability: 10.577827 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.758

Product Information

• Purity: 95%