potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

C5F11KO3S — CID 23678875

IUPACpotassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C5HF11O3S.K/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);/q;+1/p-1
InChIKeyMNUZXTVANFJFPD-UHFFFAOYSA-M
MW388.20 g/mol
LogP-0.40
Rot. Bonds4

About potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate

potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (PubChem CID 23678875) has the molecular formula C5F11KO3S and a molecular weight of 388.20 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
PubChem CID23678875
Molecular FormulaC5F11KO3S
Molecular Weight388.20 g/mol
Exact Mass387.90
IUPAC Namepotassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C5HF11O3S.K/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);/q;+1/p-1
InChIKeyMNUZXTVANFJFPD-UHFFFAOYSA-M
XLogP-0.40
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 5-0.40
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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Related Compounds

Potassium perfluorobutanesulfonate
CID 23675274
Potassium perfluorohexanesulfonate
CID 23678874
Perfluoro-1-butanesulfonyl fluoride
CID 67814
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl chloride
CID 324955
Sodium perfluorohexanesulfonate
CID 23704962
Perfluorobutanesulfonate
CID 3741048
1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
CID 67918
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride
CID 100374
Perfluoropentanesulfonic acid
CID 75922
Perfluorohexanesulfonate
CID 16760155
1-Pentanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-
CID 67816
Potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propanesulphonate
CID 23662569

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate (CID 23678875) is potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
The InChIKey is MNUZXTVANFJFPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5HF11O3S.K/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate?
potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate has a molecular weight of 388.20 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate is sourced from PubChem (CID 23678875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).