azanium 1,1,2,2,2-pentafluoroethanesulfonate

C2H4F5NO3S — CID 87471291

IUPACazanium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C2HF5O3S.H3N/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H3
InChIKeyBWFFZEJDNVBQEZ-UHFFFAOYSA-N
MW217.12 g/mol
LogP1.06
Rot. Bonds1

About azanium 1,1,2,2,2-pentafluoroethanesulfonate

azanium 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 87471291) has the molecular formula C2H4F5NO3S and a molecular weight of 217.12 g/mol. Its IUPAC name is azanium 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Nameazanium 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID87471291
Molecular FormulaC2H4F5NO3S
Molecular Weight217.12 g/mol
Exact Mass216.98
IUPAC Nameazanium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[NH4+]
InChIInChI=1S/C2HF5O3S.H3N/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H3
InChIKeyBWFFZEJDNVBQEZ-UHFFFAOYSA-N
XLogP1.06
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
CID 163207
1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-, ammonium salt (1:1)
CID 71432178
Perfluoro-1-butanesulfinic acid ammonium
CID 18512638
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Fluoro 1,1,2,2,2-pentafluoroethanesulfonate
CID 17764680
Pentafluoroethanesulfonate
CID 22062497
N,1,1,2,2,2-hexafluoroethanesulfonamide
CID 87788327
CID 87905698
CID 87905698
Azanium;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88849207
Azane;1,1,2,2,2-pentafluoroethanesulfonamide
CID 89586100

Frequently Asked Questions

What is the IUPAC name of azanium 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of azanium 1,1,2,2,2-pentafluoroethanesulfonate (CID 87471291) is azanium 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for azanium 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for azanium 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)F.[NH4+].
What is the InChIKey of azanium 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is BWFFZEJDNVBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O3S.H3N/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H3.
What are the key properties of azanium 1,1,2,2,2-pentafluoroethanesulfonate?
azanium 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 217.12 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 87471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).