1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine

C16H23F6NO3S — CID 171929709

IUPAC1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)C(F)CCCCCCCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C11H18F6O3S.C5H5N/c12-9(11(16,17)21(18,19)20)7-5-3-1-2-4-6-8-10(13,14)15;1-2-4-6-5-3-1/h9H,1-8H2,(H,18,19,20);1-5H
InChIKeyGIYJDSKOKDBRQF-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.57
Rot. Bonds10

About 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine

1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine (PubChem CID 171929709) has the molecular formula C16H23F6NO3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine.

Molecular Properties

Compound Name1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine
PubChem CID171929709
Molecular FormulaC16H23F6NO3S
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)C(F)CCCCCCCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C11H18F6O3S.C5H5N/c12-9(11(16,17)21(18,19)20)7-5-3-1-2-4-6-8-10(13,14)15;1-2-4-6-5-3-1/h9H,1-8H2,(H,18,19,20);1-5H
InChIKeyGIYJDSKOKDBRQF-UHFFFAOYSA-N
XLogP5.57
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine?
The IUPAC name of 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine (CID 171929709) is 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine.
What is the SMILES notation for 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine?
The canonical SMILES for 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine is O=S(=O)(O)C(F)(F)C(F)CCCCCCCCC(F)(F)F.c1ccncc1.
What is the InChIKey of 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine?
The InChIKey is GIYJDSKOKDBRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O3S.C5H5N/c12-9(11(16,17)21(18,19)20)7-5-3-1-2-4-6-8-10(13,14)15;1-2-4-6-5-3-1/h9H,1-8H2,(H,18,19,20);1-5H.
What are the key properties of 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine?
1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine has a molecular weight of 423.42 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,11,11,11-hexafluoroundecane-1-sulfonic acid;pyridine is sourced from PubChem (CID 171929709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).