1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium

C10H21F4NO7S — CID 87096028

IUPAC1,1,2,2-tetrafluoroethanesulfonate;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;/p-1
InChIKeyIEOTWKMBQULPKX-UHFFFAOYSA-M
MW375.34 g/mol
LogP-1.84
Rot. Bonds10

About 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium

1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium (PubChem CID 87096028) has the molecular formula C10H21F4NO7S and a molecular weight of 375.34 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium
PubChem CID87096028
Molecular FormulaC10H21F4NO7S
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name1,1,2,2-tetrafluoroethanesulfonate;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;/p-1
InChIKeyIEOTWKMBQULPKX-UHFFFAOYSA-M
XLogP-1.84
TPSA138.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 118689
1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
1,1,2,3,3,3-Hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022204
1,1,2,2,3,3,4,4-Octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide
CID 3022848
qaPFSMf n=5
CID 139594771
qaPFSMf n=4
CID 139595660
qaPFSMf n=2
CID 139595724
qaPFSMf n=3
CID 139596615
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
Tetrakis(2-hydroxyethyl)ammonium trifluoromethane sulfonate
CID 17757869
N-ethyl-1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)ethanesulfonamide
CID 17990763

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium?
The IUPAC name of 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium (CID 87096028) is 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium.
What is the SMILES notation for 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium?
The canonical SMILES for 1,1,2,2-tetrafluoroethanesulfonate;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-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium?
The InChIKey is IEOTWKMBQULPKX-UHFFFAOYSA-M. 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;/p-1.
What are the key properties of 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium?
1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium has a molecular weight of 375.34 g/mol, XLogP of -1.84, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethanesulfonate;tetrakis(2-hydroxyethyl)azanium is sourced from PubChem (CID 87096028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).