2,2-Difluoro-2-sulfoacetic acid
Basic information
- CAS
422-67-3- Standard SMILES
O=C(O)C(F)(F)S(=O)(=O)O- InChIKey
YIBFJCKIOIVKIU-UHFFFAOYSA-N- Molecular formula
- C2H2F2O5S
- Average molar mass
- 176.1 g/mol
- Monoisotopic mass
- 175.95910066
Names & identifiers
- Preferred name
- 2,2-Difluoro-2-sulfoacetic acid
- IUPAC
- 2,2-difluoro-2-sulfoacetic acid
- English name
- Acetic acid, difluorosulfo-
- Molecular formula
- C2H2F2O5S
- Molecular weight
- 176.1
Names & synonyms
2,2-difluoro-2-sulfoacetic acid422-67-3RefChem:1059098difluorosulfoacetic acidMFCD00995445Difluoro(sulfo)acetic acidDifluoro-sulfo-acetic acidAcetic acid, difluorosulfo-CPFLSA_isulfodifluoroacetic acidSulfo Perfluoroethanoic acidMLS000030830
Show more names
Acetic acid, 2,2-difluoro-2-sulfo-
SCHEMBL593037CHEMBL1417591DTXSID90349596HMS2360F14AKOS006229053AS-95819SMR000001287SY357460
Database identifiers
- CAS
422-67-3- PubChem CID
- 654789
- DTXSID
DTXSID90349596- ChEMBL
CHEMBL1417591
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Density
- 2.055 · 2.055±0.06 g/cm3(Predicted)
- pka
- -3.58 · -3.58±0.50(Predicted)
Related reactions
1 records
Compound notes
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