diethylazanium;1,1,2,2-tetrafluoroethanesulfonate

C6H13F4NO3S — CID 156741697

IUPACdiethylazanium;1,1,2,2-tetrafluoroethanesulfonate
SMILESCC[NH2+]CC.O=S(=O)([O-])C(F)(F)C(F)F
InChIInChI=1S/C4H11N.C2H2F4O3S/c1-3-5-4-2;3-1(4)2(5,6)10(7,8)9/h5H,3-4H2,1-2H3;1H,(H,7,8,9)
InChIKeyZGGQOGONGQVIBW-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.02
Rot. Bonds4

About diethylazanium;1,1,2,2-tetrafluoroethanesulfonate

diethylazanium;1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 156741697) has the molecular formula C6H13F4NO3S and a molecular weight of 255.23 g/mol. Its IUPAC name is diethylazanium;1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Namediethylazanium;1,1,2,2-tetrafluoroethanesulfonate
PubChem CID156741697
Molecular FormulaC6H13F4NO3S
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Namediethylazanium;1,1,2,2-tetrafluoroethanesulfonate
SMILESCC[NH2+]CC.O=S(=O)([O-])C(F)(F)C(F)F
InChIInChI=1S/C4H11N.C2H2F4O3S/c1-3-5-4-2;3-1(4)2(5,6)10(7,8)9/h5H,3-4H2,1-2H3;1H,(H,7,8,9)
InChIKeyZGGQOGONGQVIBW-UHFFFAOYSA-N
XLogP-0.02
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.02
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

Triethylammonium perfluorohexane sulfonate
CID 21114099
Diethylmethylammonium trifluoromethanesulfonate
CID 86620365
Methanesulfonic acid, 1,1,1-trifluoro-, compd. with N-ethylethanamine (1:1)
CID 173774
Triethylammonium Perfluorobutylsulfonate
CID 21470349
Triethylammonium perfluoropentane sulfonate
CID 162396538
N,N-Diethylammonium trifluoromethanesulfonate
CID 2783161
Triethylammonium trifluoromethanesulfonate
CID 14718426
Dimethylethylammonium Trifluoromethanesulfonate
CID 86620366
1,1,2,2,3,3,3-Heptafluoropropane-1-sulfonate;triethylazanium
CID 19035142
N-ethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659653
1,1-Difluoro-2-(propylamino)ethanesulfonic acid
CID 118689252
1,1,2-trifluoro-N-[2-(methylamino)ethyl]ethanesulfonamide
CID 123946453

Frequently Asked Questions

What is the IUPAC name of diethylazanium;1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of diethylazanium;1,1,2,2-tetrafluoroethanesulfonate (CID 156741697) is diethylazanium;1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for diethylazanium;1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for diethylazanium;1,1,2,2-tetrafluoroethanesulfonate is CC[NH2+]CC.O=S(=O)([O-])C(F)(F)C(F)F.
What is the InChIKey of diethylazanium;1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is ZGGQOGONGQVIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H2F4O3S/c1-3-5-4-2;3-1(4)2(5,6)10(7,8)9/h5H,3-4H2,1-2H3;1H,(H,7,8,9).
What are the key properties of diethylazanium;1,1,2,2-tetrafluoroethanesulfonate?
diethylazanium;1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 255.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 156741697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).