1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid

C7H10F4N2O3S — CID 171923668

IUPAC1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCCn1ccnc1.O=S(=O)(O)C(F)(F)C(F)F
InChIInChI=1S/C5H8N2.C2H2F4O3S/c1-2-7-4-3-6-5-7;3-1(4)2(5,6)10(7,8)9/h3-5H,2H2,1H3;1H,(H,7,8,9)
InChIKeySRWDBFZMOOIDFX-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.64
Rot. Bonds3

About 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid

1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 171923668) has the molecular formula C7H10F4N2O3S and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID171923668
Molecular FormulaC7H10F4N2O3S
Molecular Weight278.23 g/mol
Exact Mass278.03
IUPAC Name1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCCn1ccnc1.O=S(=O)(O)C(F)(F)C(F)F
InChIInChI=1S/C5H8N2.C2H2F4O3S/c1-2-7-4-3-6-5-7;3-1(4)2(5,6)10(7,8)9/h3-5H,2H2,1H3;1H,(H,7,8,9)
InChIKeySRWDBFZMOOIDFX-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-propylimidazole;1,1,2,2-tetrafluoroethyl 1,1,2,2-tetrafluoroethanesulfonate
CID 87550974
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
pyridine;1,1,2,2-tetrafluoroethanesulfonic acid
CID 161024993
bis(1-propylimidazole);sulfuric acid
CID 86038795
3-imidazol-1-ylpropan-1-amine;trifluoromethanesulfonic acid
CID 174802569
1-ethylimidazole;octane
CID 145297576
4-ethenylbenzenesulfonic acid;1-ethylimidazole
CID 71420556
silver;bis(trifluoromethylsulfonyl)azanide;bis(1-butylimidazole)
CID 139158584
N-ethylethanamine;1-ethylimidazole;dihydrochloride
CID 173327327
bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)
CID 171932409
bis(1-methylimidazole);propane-1-sulfonic acid;trifluoromethanesulfonic acid
CID 175343439

Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid (CID 171923668) is 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid is CCn1ccnc1.O=S(=O)(O)C(F)(F)C(F)F.
What is the InChIKey of 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is SRWDBFZMOOIDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H2F4O3S/c1-2-7-4-3-6-5-7;3-1(4)2(5,6)10(7,8)9/h3-5H,2H2,1H3;1H,(H,7,8,9).
What are the key properties of 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid?
1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 278.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 171923668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).