potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

C3F7KO3S — CID 23696418

IUPACpotassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C3HF7O3S.K/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1
InChIKeyBLVKDXZGNZXMBZ-UHFFFAOYSA-M
MW288.18 g/mol
LogP-1.67
Rot. Bonds2

About potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate

potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (PubChem CID 23696418) has the molecular formula C3F7KO3S and a molecular weight of 288.18 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
PubChem CID23696418
Molecular FormulaC3F7KO3S
Molecular Weight288.18 g/mol
Exact Mass287.91
IUPAC Namepotassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C3HF7O3S.K/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1
InChIKeyBLVKDXZGNZXMBZ-UHFFFAOYSA-M
XLogP-1.67
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 5-1.67
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 potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate (CID 23696418) is potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
The InChIKey is BLVKDXZGNZXMBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O3S.K/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate?
potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate has a molecular weight of 288.18 g/mol, XLogP of -1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate is sourced from PubChem (CID 23696418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).