fluoro undecane-1-sulfonate;pyridine

C16H28FNO3S — CID 175161827

IUPACfluoro undecane-1-sulfonate;pyridine
SMILESCCCCCCCCCCCS(=O)(=O)OF.c1ccncc1
InChIInChI=1S/C11H23FO3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-16(13,14)15-12;1-2-4-6-5-3-1/h2-11H2,1H3;1-5H
InChIKeyXOVMOLNMSWFDEM-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.83
Rot. Bonds11

About fluoro undecane-1-sulfonate;pyridine

fluoro undecane-1-sulfonate;pyridine (PubChem CID 175161827) has the molecular formula C16H28FNO3S and a molecular weight of 333.47 g/mol. Its IUPAC name is fluoro undecane-1-sulfonate;pyridine.

Molecular Properties

Compound Namefluoro undecane-1-sulfonate;pyridine
PubChem CID175161827
Molecular FormulaC16H28FNO3S
Molecular Weight333.47 g/mol
Exact Mass333.18
IUPAC Namefluoro undecane-1-sulfonate;pyridine
SMILESCCCCCCCCCCCS(=O)(=O)OF.c1ccncc1
InChIInChI=1S/C11H23FO3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-16(13,14)15-12;1-2-4-6-5-3-1/h2-11H2,1H3;1-5H
InChIKeyXOVMOLNMSWFDEM-UHFFFAOYSA-N
XLogP4.83
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro octane-1-sulfonate;zirconium
CID 175196316
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CID 175529463
fluoro octane-1-sulfonate;octadecan-1-amine
CID 174821915
fluoro octane-1-sulfonate;tetrapropylazanium
CID 174418186
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
hexyl trifluoromethanesulfonate;pyridine
CID 87250212
2-tert-butylbenzenethiol;fluoro octane-1-sulfonate
CID 174689059
hexane;propan-2-one;pyridine
CID 66842615
1,1-bis(trifluoromethylsulfonyl)heptane;pyridine
CID 155012693
CID 173387183
CID 173387183
1-chlorooctane;pyridine
CID 19599073
fluoro octane-1-sulfonate;1-methylsulfanylheptan-2-one
CID 174410132

Frequently Asked Questions

What is the IUPAC name of fluoro undecane-1-sulfonate;pyridine?
The IUPAC name of fluoro undecane-1-sulfonate;pyridine (CID 175161827) is fluoro undecane-1-sulfonate;pyridine.
What is the SMILES notation for fluoro undecane-1-sulfonate;pyridine?
The canonical SMILES for fluoro undecane-1-sulfonate;pyridine is CCCCCCCCCCCS(=O)(=O)OF.c1ccncc1.
What is the InChIKey of fluoro undecane-1-sulfonate;pyridine?
The InChIKey is XOVMOLNMSWFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO3S.C5H5N/c1-2-3-4-5-6-7-8-9-10-11-16(13,14)15-12;1-2-4-6-5-3-1/h2-11H2,1H3;1-5H.
What are the key properties of fluoro undecane-1-sulfonate;pyridine?
fluoro undecane-1-sulfonate;pyridine has a molecular weight of 333.47 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro undecane-1-sulfonate;pyridine is sourced from PubChem (CID 175161827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).