potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite

C6F11KO3S — CID 23720899

IUPACpotassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
SMILESO=S([O-])OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C6HF11O3S.K/c7-1(8)2(9,10)4(13,14)6(17,20-21(18)19)5(15,16)3(1,11)12;/h(H,18,19);/q;+1/p-1
InChIKeyRVUYAFMKEGGKPG-UHFFFAOYSA-M
MW400.21 g/mol
LogP-0.34
Rot. Bonds2

About potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite

potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite (PubChem CID 23720899) has the molecular formula C6F11KO3S and a molecular weight of 400.21 g/mol. Its IUPAC name is potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite.

Molecular Properties

Compound Namepotassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
PubChem CID23720899
Molecular FormulaC6F11KO3S
Molecular Weight400.21 g/mol
Exact Mass399.90
IUPAC Namepotassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
SMILESO=S([O-])OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C6HF11O3S.K/c7-1(8)2(9,10)4(13,14)6(17,20-21(18)19)5(15,16)3(1,11)12;/h(H,18,19);/q;+1/p-1
InChIKeyRVUYAFMKEGGKPG-UHFFFAOYSA-M
XLogP-0.34
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl) hydrogen sulfite
CID 20482108
Tribromomethyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 22892705
Methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155304
Bis(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite
CID 87155434
Potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl sulfite
CID 175468274
(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl) sulfate
CID 153920409

Frequently Asked Questions

What is the IUPAC name of potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The IUPAC name of potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite (CID 23720899) is potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite.
What is the SMILES notation for potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The canonical SMILES for potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite is O=S([O-])OC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
The InChIKey is RVUYAFMKEGGKPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF11O3S.K/c7-1(8)2(9,10)4(13,14)6(17,20-21(18)19)5(15,16)3(1,11)12;/h(H,18,19);/q;+1/p-1.
What are the key properties of potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite?
potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite has a molecular weight of 400.21 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfite is sourced from PubChem (CID 23720899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).