potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane

C2H2F4KO3S+ — CID 59444870

IUPACpotassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane
SMILES[CH2+]C(F)(F)S(F)(F)OO[O-].[K+]
InChIInChI=1S/C2H2F4O3S.K/c1-2(3,4)10(5,6)9-8-7;/h1H2;/q;+1
InChIKeyLIYWSDRMEPDZAG-UHFFFAOYSA-N
MW221.19 g/mol
LogP-1.87
Rot. Bonds3

About potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane

potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane (PubChem CID 59444870) has the molecular formula C2H2F4KO3S+ and a molecular weight of 221.19 g/mol. Its IUPAC name is potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane.

Molecular Properties

Compound Namepotassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane
PubChem CID59444870
Molecular FormulaC2H2F4KO3S+
Molecular Weight221.19 g/mol
Exact Mass220.93
IUPAC Namepotassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane
SMILES[CH2+]C(F)(F)S(F)(F)OO[O-].[K+]
InChIInChI=1S/C2H2F4O3S.K/c1-2(3,4)10(5,6)9-8-7;/h1H2;/q;+1
InChIKeyLIYWSDRMEPDZAG-UHFFFAOYSA-N
XLogP-1.87
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane?
The IUPAC name of potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane (CID 59444870) is potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane.
What is the SMILES notation for potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane?
The canonical SMILES for potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane is [CH2+]C(F)(F)S(F)(F)OO[O-].[K+].
What is the InChIKey of potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane?
The InChIKey is LIYWSDRMEPDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O3S.K/c1-2(3,4)10(5,6)9-8-7;/h1H2;/q;+1.
What are the key properties of potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane?
potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane has a molecular weight of 221.19 g/mol, XLogP of -1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1-difluoroethyl-difluoro-oxidoperoxy-λ4-sulfane is sourced from PubChem (CID 59444870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).