1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium

C6H12F5NO3S — CID 139914355

IUPAC1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C2HF5O3S/c1-5(2,3)4;3-1(4,5)2(6,7)11(8,9)10/h1-4H3;(H,8,9,10)/q+1;/p-1
InChIKeyQMAKUTJTCFYXTK-UHFFFAOYSA-M
MW273.22 g/mol
LogP1.01
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium

1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium (PubChem CID 139914355) has the molecular formula C6H12F5NO3S and a molecular weight of 273.22 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
PubChem CID139914355
Molecular FormulaC6H12F5NO3S
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C2HF5O3S/c1-5(2,3)4;3-1(4,5)2(6,7)11(8,9)10/h1-4H3;(H,8,9,10)/q+1;/p-1
InChIKeyQMAKUTJTCFYXTK-UHFFFAOYSA-M
XLogP1.01
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.01
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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Related Compounds

1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;tetramethylazanium
CID 23287339
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
diethyl(dioctadecyl)azanium;1,1,2,2,2-pentafluoroethanesulfonate
CID 19898468
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium (CID 139914355) is 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium is C[N+](C)(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium?
The InChIKey is QMAKUTJTCFYXTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.C2HF5O3S/c1-5(2,3)4;3-1(4,5)2(6,7)11(8,9)10/h1-4H3;(H,8,9,10)/q+1;/p-1.
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium?
1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium has a molecular weight of 273.22 g/mol, XLogP of 1.01, 1 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;tetramethylazanium is sourced from PubChem (CID 139914355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).