fluoro ethanesulfonate;tetraethylazanium

C10H25FNO3S+ — CID 175189438

IUPACfluoro ethanesulfonate;tetraethylazanium
SMILESCCS(=O)(=O)OF.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C2H5FO3S/c1-5-9(6-2,7-3)8-4;1-2-7(4,5)6-3/h5-8H2,1-4H3;2H2,1H3/q+1;
InChIKeyHKSPYFQHLUFFIX-UHFFFAOYSA-N
MW258.38 g/mol
LogP2.12
Rot. Bonds6

About fluoro ethanesulfonate;tetraethylazanium

fluoro ethanesulfonate;tetraethylazanium (PubChem CID 175189438) has the molecular formula C10H25FNO3S+ and a molecular weight of 258.38 g/mol. Its IUPAC name is fluoro ethanesulfonate;tetraethylazanium.

Molecular Properties

Compound Namefluoro ethanesulfonate;tetraethylazanium
PubChem CID175189438
Molecular FormulaC10H25FNO3S+
Molecular Weight258.38 g/mol
Exact Mass258.15
IUPAC Namefluoro ethanesulfonate;tetraethylazanium
SMILESCCS(=O)(=O)OF.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C2H5FO3S/c1-5-9(6-2,7-3)8-4;1-2-7(4,5)6-3/h5-8H2,1-4H3;2H2,1H3/q+1;
InChIKeyHKSPYFQHLUFFIX-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

sodium;tetraethylazanium;sulfate
CID 139985326
fluoro octane-1-sulfonate;tetrapropylazanium
CID 174418186
fluoro fluoromethanesulfonate
CID 23020247
ethyl fluoro sulfate
CID 88599587
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
1,1,2,2,2-pentafluoroethyl pentane-1-sulfonate;tetraethylazanium
CID 175529336
fluoro octane-1-sulfonate;zirconium
CID 175196316
ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate
CID 87457651
fluoro octane-1-sulfonate;octadecan-1-amine
CID 174821915
tetraethylazanium;fluoride;dihydrate
CID 2776564

Frequently Asked Questions

What is the IUPAC name of fluoro ethanesulfonate;tetraethylazanium?
The IUPAC name of fluoro ethanesulfonate;tetraethylazanium (CID 175189438) is fluoro ethanesulfonate;tetraethylazanium.
What is the SMILES notation for fluoro ethanesulfonate;tetraethylazanium?
The canonical SMILES for fluoro ethanesulfonate;tetraethylazanium is CCS(=O)(=O)OF.CC[N+](CC)(CC)CC.
What is the InChIKey of fluoro ethanesulfonate;tetraethylazanium?
The InChIKey is HKSPYFQHLUFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2H5FO3S/c1-5-9(6-2,7-3)8-4;1-2-7(4,5)6-3/h5-8H2,1-4H3;2H2,1H3/q+1;.
What are the key properties of fluoro ethanesulfonate;tetraethylazanium?
fluoro ethanesulfonate;tetraethylazanium has a molecular weight of 258.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro ethanesulfonate;tetraethylazanium is sourced from PubChem (CID 175189438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).