potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C3F6KNO4S2 — CID 44630348

IUPACpotassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C3F6NO4S2.K/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
InChIKeyXHXQVKHBZXYEKL-UHFFFAOYSA-N
MW331.26 g/mol
LogP-2.14
Rot. Bonds

About potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 44630348) has the molecular formula C3F6KNO4S2 and a molecular weight of 331.26 g/mol. Its IUPAC name is potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Namepotassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID44630348
Molecular FormulaC3F6KNO4S2
Molecular Weight331.26 g/mol
Exact Mass330.88
IUPAC Namepotassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C3F6NO4S2.K/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
InChIKeyXHXQVKHBZXYEKL-UHFFFAOYSA-N
XLogP-2.14
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 44630348) is potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is XHXQVKHBZXYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6NO4S2.K/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1.
What are the key properties of potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 331.26 g/mol, XLogP of -2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 44630348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).