1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium

C10H22F4NO7S+ — CID 87096029

IUPAC1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium
SMILESO=S(=O)(O)C(F)(F)C(F)F.OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H20NO4.C2H2F4O3S/c10-5-1-9(2-6-11,3-7-12)4-8-13;3-1(4)2(5,6)10(7,8)9/h10-13H,1-8H2;1H,(H,7,8,9)/q+1;
InChIKeyIEOTWKMBQULPKX-UHFFFAOYSA-N
MW376.35 g/mol
LogP-1.50
Rot. Bonds10

About 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium

1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium (PubChem CID 87096029) has the molecular formula C10H22F4NO7S+ and a molecular weight of 376.35 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium
PubChem CID87096029
Molecular FormulaC10H22F4NO7S+
Molecular Weight376.35 g/mol
Exact Mass376.10
IUPAC Name1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium
SMILESO=S(=O)(O)C(F)(F)C(F)F.OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H20NO4.C2H2F4O3S/c10-5-1-9(2-6-11,3-7-12)4-8-13;3-1(4)2(5,6)10(7,8)9/h10-13H,1-8H2;1H,(H,7,8,9)/q+1;
InChIKeyIEOTWKMBQULPKX-UHFFFAOYSA-N
XLogP-1.50
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium?
The IUPAC name of 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium (CID 87096029) is 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium?
The canonical SMILES for 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium is O=S(=O)(O)C(F)(F)C(F)F.OCC[N+](CCO)(CCO)CCO.
What is the InChIKey of 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium?
The InChIKey is IEOTWKMBQULPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4.C2H2F4O3S/c10-5-1-9(2-6-11,3-7-12)4-8-13;3-1(4)2(5,6)10(7,8)9/h10-13H,1-8H2;1H,(H,7,8,9)/q+1;.
What are the key properties of 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium?
1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium has a molecular weight of 376.35 g/mol, XLogP of -1.50, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethanesulfonic acid;tetrakis(2-hydroxyethyl)azanium is sourced from PubChem (CID 87096029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).