2,2,3,3-tetrafluoropropane-1-sulfonyl chloride

• ChemBase ID: 248004
• Molecular Formular: C3H3ClF4O2S
• Molecular Mass: 214.5663328
• Monoisotopic Mass: 213.9478409
• SMILES: S(=O)(=O)(CC(C(F)F)(F)F)Cl
• Canonical SMILES: FC(C(CS(=O)(=O)Cl)(F)F)F
• InChI: InChI=1S/C3H3ClF4O2S/c4-11(9,10)1-3(7,8)2(5)6/h2H,1H2
• InChIKey: NVFNFJVPKWOWLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropane-1-sulfonyl chloride
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropane-1-sulfonyl chloride
• Synonyms: 2,2,3,3-tetrafluoropropane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD19200857
• PubChem SID: 164303914
• PubChem CID: 21498346

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1241904
• LogD (pH = 7.4): 1.1241904
• Log P: 1.1241904
• Molar Refractivity: 29.4554 cm^3
• Polarizability: 12.387385 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.243

Product Information

• Purity: 95%