sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

C4F9NaO4S — CID 2782565

IUPACsodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4HF9O4S.Na/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyGKXDAFLCVMFZNI-UHFFFAOYSA-M
MW338.08 g/mol
LogP-1.11
Rot. Bonds4

About sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (PubChem CID 2782565) has the molecular formula C4F9NaO4S and a molecular weight of 338.08 g/mol. Its IUPAC name is sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Namesodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
PubChem CID2782565
Molecular FormulaC4F9NaO4S
Molecular Weight338.08 g/mol
Exact Mass337.93
IUPAC Namesodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C4HF9O4S.Na/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyGKXDAFLCVMFZNI-UHFFFAOYSA-M
XLogP-1.11
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The IUPAC name of sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (CID 2782565) is sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.
What is the SMILES notation for sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The canonical SMILES for sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The InChIKey is GKXDAFLCVMFZNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF9O4S.Na/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16;/h(H,14,15,16);/q;+1/p-1.
What are the key properties of sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate has a molecular weight of 338.08 g/mol, XLogP of -1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 2782565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).