pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid

C16H25F4NO3S — CID 171923015

IUPACpyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)CCCCCCCCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C11H20F4O3S.C5H5N/c12-10(19(16,17)18)8-6-4-2-1-3-5-7-9-11(13,14)15;1-2-4-6-5-3-1/h10H,1-9H2,(H,16,17,18);1-5H
InChIKeyCPJRKBQXGRILRG-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.32
Rot. Bonds10

About pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid

pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid (PubChem CID 171923015) has the molecular formula C16H25F4NO3S and a molecular weight of 387.44 g/mol. Its IUPAC name is pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid.

Molecular Properties

Compound Namepyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid
PubChem CID171923015
Molecular FormulaC16H25F4NO3S
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namepyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)CCCCCCCCCC(F)(F)F.c1ccncc1
InChIInChI=1S/C11H20F4O3S.C5H5N/c12-10(19(16,17)18)8-6-4-2-1-3-5-7-9-11(13,14)15;1-2-4-6-5-3-1/h10H,1-9H2,(H,16,17,18);1-5H
InChIKeyCPJRKBQXGRILRG-UHFFFAOYSA-N
XLogP5.32
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.32
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'}

Analyze pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid?
The IUPAC name of pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid (CID 171923015) is pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid.
What is the SMILES notation for pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid?
The canonical SMILES for pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid is O=S(=O)(O)C(F)CCCCCCCCCC(F)(F)F.c1ccncc1.
What is the InChIKey of pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid?
The InChIKey is CPJRKBQXGRILRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4O3S.C5H5N/c12-10(19(16,17)18)8-6-4-2-1-3-5-7-9-11(13,14)15;1-2-4-6-5-3-1/h10H,1-9H2,(H,16,17,18);1-5H.
What are the key properties of pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid?
pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid has a molecular weight of 387.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid is sourced from PubChem (CID 171923015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).