difluoromethanesulfonyl chloride

• ChemBase ID: 255358
• Molecular Formular: CHClF2O2S
• Molecular Mass: 150.5322464
• Monoisotopic Mass: 149.93538439
• SMILES: S(=O)(=O)(C(F)F)Cl
• Canonical SMILES: FC(S(=O)(=O)Cl)F
• InChI: InChI=1S/CHClF2O2S/c2-7(5,6)1(3)4/h1H
• InChIKey: JYQLKKNUGGVARY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoromethanesulfonyl chloride
• IUPAC Traditional name: difluoromethanesulfonyl chloride
• Synonyms: difluoromethanesulfonyl chloride

Database IDs

• MDL Number: MFCD09971548
• PubChem SID: 164311268
• PubChem CID: 73932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.403584
• LogD (pH = 7.4): 1.403584
• Log P: 1.403584
• Molar Refractivity: 20.5048 cm^3
• Polarizability: 8.868117 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.332

Product Information

• Purity: 95%