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

C4F9KO4S — CID 2782415

IUPACpotassium 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.[K+]
InChIInChI=1S/C4HF9O4S.K/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
InChIKeyLRLOPVLXVNLHIC-UHFFFAOYSA-M
MW354.19 g/mol
LogP-1.11
Rot. Bonds4

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

potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (PubChem CID 2782415) has the molecular formula C4F9KO4S and a molecular weight of 354.19 g/mol. Its IUPAC name is potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
PubChem CID2782415
Molecular FormulaC4F9KO4S
Molecular Weight354.19 g/mol
Exact Mass353.90
IUPAC Namepotassium 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.[K+]
InChIInChI=1S/C4HF9O4S.K/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
InChIKeyLRLOPVLXVNLHIC-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 ≤ 500354.19
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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Related Compounds

Perfluoro(2-ethoxyethane)sulfonic acid
CID 2776108
1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonyl Fluoride
CID 2782567
Potassium perfluoro-4-methyl-3,6-dioxaoctane-1-sulphonate
CID 23671509
Sodium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 2782565
2-(Trifluoromethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid anion
CID 20758408
F-53 (4:2 F-PFAES) ion
CID 162679408
Oxa-PFSAs(n3) ion
CID 162679425
Bis[2-(fluorosulfonyl)tetrafluoroethyl]ether
CID 2778250
2,2'-Oxybis(tetrafluoroethane-1-sulfonic acid)
CID 13581593
2-(Pentafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid anion
CID 3683400
2,2'-Oxybis(perfluoroethane)sulfonyl chloride
CID 13141607
1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid
CID 13231618

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The IUPAC name of potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (CID 2782415) is potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.
What is the SMILES notation for potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The canonical SMILES for potassium 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.[K+].
What is the InChIKey of potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The InChIKey is LRLOPVLXVNLHIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF9O4S.K/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 potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate has a molecular weight of 354.19 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 potassium 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 2782415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).