fluoro octane-1-sulfonate;zirconium

C8H17FO3SZr — CID 175196316

IUPACfluoro octane-1-sulfonate;zirconium
SMILESCCCCCCCCS(=O)(=O)OF.[Zr]
InChIInChI=1S/C8H17FO3S.Zr/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3;
InChIKeyTZSSCYHAJTYITB-UHFFFAOYSA-N
MW303.51 g/mol
LogP2.58
Rot. Bonds8

About fluoro octane-1-sulfonate;zirconium

fluoro octane-1-sulfonate;zirconium (PubChem CID 175196316) has the molecular formula C8H17FO3SZr and a molecular weight of 303.51 g/mol. Its IUPAC name is fluoro octane-1-sulfonate;zirconium.

Molecular Properties

Compound Namefluoro octane-1-sulfonate;zirconium
PubChem CID175196316
Molecular FormulaC8H17FO3SZr
Molecular Weight303.51 g/mol
Exact Mass301.99
IUPAC Namefluoro octane-1-sulfonate;zirconium
SMILESCCCCCCCCS(=O)(=O)OF.[Zr]
InChIInChI=1S/C8H17FO3S.Zr/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3;
InChIKeyTZSSCYHAJTYITB-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463
fluoro octane-1-sulfonate;tetrapropylazanium
CID 174418186
fluoro octane-1-sulfonate;octadecan-1-amine
CID 174821915
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
fluoro undecane-1-sulfonate;pyridine
CID 175161827
fluoro octane-1-sulfonate;1-methylsulfanylheptan-2-one
CID 174410132
ethyl dodecane-1-sulfonate
CID 91372072
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl decane-1-sulfonate
CID 22672297
lithium octane-1-sulfonoperoxoate
CID 158949826
ethyl nonane-1-sulfonate
CID 152681372
azane;ethyl hexane-1-sulfonate
CID 174617270

Frequently Asked Questions

What is the IUPAC name of fluoro octane-1-sulfonate;zirconium?
The IUPAC name of fluoro octane-1-sulfonate;zirconium (CID 175196316) is fluoro octane-1-sulfonate;zirconium.
What is the SMILES notation for fluoro octane-1-sulfonate;zirconium?
The canonical SMILES for fluoro octane-1-sulfonate;zirconium is CCCCCCCCS(=O)(=O)OF.[Zr].
What is the InChIKey of fluoro octane-1-sulfonate;zirconium?
The InChIKey is TZSSCYHAJTYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3S.Zr/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3;.
What are the key properties of fluoro octane-1-sulfonate;zirconium?
fluoro octane-1-sulfonate;zirconium has a molecular weight of 303.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro octane-1-sulfonate;zirconium is sourced from PubChem (CID 175196316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).