(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate

C8H12F4N2O3S — CID 87095992

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate
SMILESCCN1C=CN(C)C1OS(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O3S/c1-3-14-5-4-13(2)7(14)17-18(15,16)8(11,12)6(9)10/h4-7H,3H2,1-2H3
InChIKeyNZOGKNZTVDJXFX-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.21
Rot. Bonds5

About (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate

(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87095992) has the molecular formula C8H12F4N2O3S and a molecular weight of 292.25 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87095992
Molecular FormulaC8H12F4N2O3S
Molecular Weight292.25 g/mol
Exact Mass292.05
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate
SMILESCCN1C=CN(C)C1OS(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2O3S/c1-3-14-5-4-13(2)7(14)17-18(15,16)8(11,12)6(9)10/h4-7H,3H2,1-2H3
InChIKeyNZOGKNZTVDJXFX-UHFFFAOYSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate (CID 87095992) is (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate is CCN1C=CN(C)C1OS(=O)(=O)C(F)(F)C(F)F.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is NZOGKNZTVDJXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2O3S/c1-3-14-5-4-13(2)7(14)17-18(15,16)8(11,12)6(9)10/h4-7H,3H2,1-2H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 292.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87095992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).