potassium 2,2,2-trifluoroethanesulfonate

C2H2F3KO3S — CID 160880552

IUPACpotassium 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)([O-])CC(F)(F)F.[K+]
InChIInChI=1S/C2H3F3O3S.K/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1
InChIKeySMYYESFXRIRMOF-UHFFFAOYSA-M
MW202.19 g/mol
LogP-2.90
Rot. Bonds1

About potassium 2,2,2-trifluoroethanesulfonate

potassium 2,2,2-trifluoroethanesulfonate (PubChem CID 160880552) has the molecular formula C2H2F3KO3S and a molecular weight of 202.19 g/mol. Its IUPAC name is potassium 2,2,2-trifluoroethanesulfonate.

Molecular Properties

Compound Namepotassium 2,2,2-trifluoroethanesulfonate
PubChem CID160880552
Molecular FormulaC2H2F3KO3S
Molecular Weight202.19 g/mol
Exact Mass201.93
IUPAC Namepotassium 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)([O-])CC(F)(F)F.[K+]
InChIInChI=1S/C2H3F3O3S.K/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1
InChIKeySMYYESFXRIRMOF-UHFFFAOYSA-M
XLogP-2.90
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2,2-trifluoroethanesulfonate?
The IUPAC name of potassium 2,2,2-trifluoroethanesulfonate (CID 160880552) is potassium 2,2,2-trifluoroethanesulfonate.
What is the SMILES notation for potassium 2,2,2-trifluoroethanesulfonate?
The canonical SMILES for potassium 2,2,2-trifluoroethanesulfonate is O=S(=O)([O-])CC(F)(F)F.[K+].
What is the InChIKey of potassium 2,2,2-trifluoroethanesulfonate?
The InChIKey is SMYYESFXRIRMOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3F3O3S.K/c3-2(4,5)1-9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1.
What are the key properties of potassium 2,2,2-trifluoroethanesulfonate?
potassium 2,2,2-trifluoroethanesulfonate has a molecular weight of 202.19 g/mol, XLogP of -2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2,2-trifluoroethanesulfonate is sourced from PubChem (CID 160880552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).