1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine

C9H6F9NO3S — CID 171925066

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C4HF9O3S/c1-2-4-6-5-3-1;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h1-5H;(H,14,15,16)
InChIKeyJSRHBBHTTASSTP-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.38
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine (PubChem CID 171925066) has the molecular formula C9H6F9NO3S and a molecular weight of 379.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine
PubChem CID171925066
Molecular FormulaC9H6F9NO3S
Molecular Weight379.20 g/mol
Exact Mass378.99
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C4HF9O3S/c1-2-4-6-5-3-1;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h1-5H;(H,14,15,16)
InChIKeyJSRHBBHTTASSTP-UHFFFAOYSA-N
XLogP3.38
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
pyridine;1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctane-1-sulfonic acid
CID 171922755
1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecane-1-sulfonic acid;pyridine
CID 171922733
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,12,12,12-henicosafluorododecane-1-sulfonic acid;pyridine
CID 171922781
1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,11-heptadecafluoroundecane-1-sulfonic acid;pyridine
CID 171930591
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;hydroiodide
CID 171922713
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;ytterbium
CID 87251349
CID 87168941
CID 87168941
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
sodium perfluoroheptanesulfonate
CID 87558139

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine (CID 171925066) is 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccncc1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine?
The InChIKey is JSRHBBHTTASSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4HF9O3S/c1-2-4-6-5-3-1;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h1-5H;(H,14,15,16).
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine?
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine has a molecular weight of 379.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyridine is sourced from PubChem (CID 171925066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).