potassium 2,2,2-trifluoroethoxymethanedithioate

C3H2F3KOS2 — CID 11745979

IUPACpotassium 2,2,2-trifluoroethoxymethanedithioate
SMILESFC(F)(F)COC(=S)[S-].[K+]
InChIInChI=1S/C3H3F3OS2.K/c4-3(5,6)1-7-2(8)9;/h1H2,(H,8,9);/q;+1/p-1
InChIKeyWSJLNOFAUDZFDO-UHFFFAOYSA-M
MW214.27 g/mol
LogP-1.60
Rot. Bonds1

About potassium 2,2,2-trifluoroethoxymethanedithioate

potassium 2,2,2-trifluoroethoxymethanedithioate (PubChem CID 11745979) has the molecular formula C3H2F3KOS2 and a molecular weight of 214.27 g/mol. Its IUPAC name is potassium 2,2,2-trifluoroethoxymethanedithioate.

Molecular Properties

Compound Namepotassium 2,2,2-trifluoroethoxymethanedithioate
PubChem CID11745979
Molecular FormulaC3H2F3KOS2
Molecular Weight214.27 g/mol
Exact Mass213.91
IUPAC Namepotassium 2,2,2-trifluoroethoxymethanedithioate
SMILESFC(F)(F)COC(=S)[S-].[K+]
InChIInChI=1S/C3H3F3OS2.K/c4-3(5,6)1-7-2(8)9;/h1H2,(H,8,9);/q;+1/p-1
InChIKeyWSJLNOFAUDZFDO-UHFFFAOYSA-M
XLogP-1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2,2-trifluoroethoxymethanedithioate?
The IUPAC name of potassium 2,2,2-trifluoroethoxymethanedithioate (CID 11745979) is potassium 2,2,2-trifluoroethoxymethanedithioate.
What is the SMILES notation for potassium 2,2,2-trifluoroethoxymethanedithioate?
The canonical SMILES for potassium 2,2,2-trifluoroethoxymethanedithioate is FC(F)(F)COC(=S)[S-].[K+].
What is the InChIKey of potassium 2,2,2-trifluoroethoxymethanedithioate?
The InChIKey is WSJLNOFAUDZFDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F3OS2.K/c4-3(5,6)1-7-2(8)9;/h1H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2,2,2-trifluoroethoxymethanedithioate?
potassium 2,2,2-trifluoroethoxymethanedithioate has a molecular weight of 214.27 g/mol, XLogP of -1.60, 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-trifluoroethoxymethanedithioate is sourced from PubChem (CID 11745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).