azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate

C7H4F15NO5S — CID 138396483

IUPACazanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C7HF15O5S.H3N/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);1H3
InChIKeyXZLCERRVJCHNSR-UHFFFAOYSA-N
MW499.15 g/mol
LogP4.10
Rot. Bonds7

About azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate

azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate (PubChem CID 138396483) has the molecular formula C7H4F15NO5S and a molecular weight of 499.15 g/mol. Its IUPAC name is azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate.

Molecular Properties

Compound Nameazanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
PubChem CID138396483
Molecular FormulaC7H4F15NO5S
Molecular Weight499.15 g/mol
Exact Mass498.96
IUPAC Nameazanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C7HF15O5S.H3N/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);1H3
InChIKeyXZLCERRVJCHNSR-UHFFFAOYSA-N
XLogP4.10
TPSA112.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.15
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Potassium perfluoro-4-methyl-3,6-dioxaoctane-1-sulphonate
CID 23671509
Perfluoro(4-methyl-3,6-dioxaoctane)sulfonyl fluoride
CID 14787949
Fluoro perfluoro-2-[3-(ethoxy)propan-2-yl]oxyethanesulfonate
CID 123546001
1,1,2,2-Tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
CID 4604311
1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethanesulfonate
CID 23533147
Azane;1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
CID 87161896
1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl chloride
CID 87600015
1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propoxy]ethanesulfonyl fluoride
CID 88270709
[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite
CID 90835683
[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite
CID 90977379
1,1,2,2-tetrafluoro-2-[(2R)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 98046579
1,1,2,2-tetrafluoro-2-[(2S)-1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
CID 98046581

Frequently Asked Questions

What is the IUPAC name of azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The IUPAC name of azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate (CID 138396483) is azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate.
What is the SMILES notation for azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The canonical SMILES for azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F.[NH4+].
What is the InChIKey of azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The InChIKey is XZLCERRVJCHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF15O5S.H3N/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);1H3.
What are the key properties of azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate has a molecular weight of 499.15 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate is sourced from PubChem (CID 138396483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).