sodium 1,1,2,2-tetrafluoroethanesulfonate

C2HF4NaO3S — CID 87303205

IUPACsodium 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)F.[Na+]
InChIInChI=1S/C2H2F4O3S.Na/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyAXAQAFNUTNNQEA-UHFFFAOYSA-M
MW204.08 g/mol
LogP-2.61
Rot. Bonds2

About sodium 1,1,2,2-tetrafluoroethanesulfonate

sodium 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87303205) has the molecular formula C2HF4NaO3S and a molecular weight of 204.08 g/mol. Its IUPAC name is sodium 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Namesodium 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87303205
Molecular FormulaC2HF4NaO3S
Molecular Weight204.08 g/mol
Exact Mass203.95
IUPAC Namesodium 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)F.[Na+]
InChIInChI=1S/C2H2F4O3S.Na/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyAXAQAFNUTNNQEA-UHFFFAOYSA-M
XLogP-2.61
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of sodium 1,1,2,2-tetrafluoroethanesulfonate (CID 87303205) is sodium 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for sodium 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for sodium 1,1,2,2-tetrafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is AXAQAFNUTNNQEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O3S.Na/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium 1,1,2,2-tetrafluoroethanesulfonate?
sodium 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 204.08 g/mol, XLogP of -2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).