1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium

C10H20F5NO3S — CID 21105824

IUPAC1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C8H20N.C2HF5O3S/c1-5-9(6-2,7-3)8-4;3-1(4,5)2(6,7)11(8,9)10/h5-8H2,1-4H3;(H,8,9,10)/q+1;/p-1
InChIKeyHLJRVJPOBGUXOJ-UHFFFAOYSA-M
MW329.33 g/mol
LogP2.57
Rot. Bonds5

About 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium

1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium (PubChem CID 21105824) has the molecular formula C10H20F5NO3S and a molecular weight of 329.33 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium
PubChem CID21105824
Molecular FormulaC10H20F5NO3S
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C8H20N.C2HF5O3S/c1-5-9(6-2,7-3)8-4;3-1(4,5)2(6,7)11(8,9)10/h5-8H2,1-4H3;(H,8,9,10)/q+1;/p-1
InChIKeyHLJRVJPOBGUXOJ-UHFFFAOYSA-M
XLogP2.57
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium (CID 21105824) is 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium is CC[N+](CC)(CC)CC.O=S(=O)([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium?
The InChIKey is HLJRVJPOBGUXOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C2HF5O3S/c1-5-9(6-2,7-3)8-4;3-1(4,5)2(6,7)11(8,9)10/h5-8H2,1-4H3;(H,8,9,10)/q+1;/p-1.
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium?
1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium has a molecular weight of 329.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanesulfonate;tetraethylazanium is sourced from PubChem (CID 21105824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).