1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide

C5H5F4IN2 — CID 140543541

IUPAC1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide
SMILESFC(F)C(F)(F)[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C5H4F4N2.HI/c6-4(7)5(8,9)11-2-1-10-3-11;/h1-4H;1H
InChIKeyXZEOCMUQAJCSOV-UHFFFAOYSA-N
MW296.00 g/mol
LogP-2.75
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide

1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide (PubChem CID 140543541) has the molecular formula C5H5F4IN2 and a molecular weight of 296.00 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide
PubChem CID140543541
Molecular FormulaC5H5F4IN2
Molecular Weight296.00 g/mol
Exact Mass295.94
IUPAC Name1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide
SMILESFC(F)C(F)(F)[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C5H4F4N2.HI/c6-4(7)5(8,9)11-2-1-10-3-11;/h1-4H;1H
InChIKeyXZEOCMUQAJCSOV-UHFFFAOYSA-N
XLogP-2.75
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 5-2.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazol-1-ium
CID 172771596
fluoroform;1H-imidazol-1-ium
CID 158553965

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide (CID 140543541) is 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide is FC(F)C(F)(F)[NH+]1C=CN=C1.[I-].
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide?
The InChIKey is XZEOCMUQAJCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2.HI/c6-4(7)5(8,9)11-2-1-10-3-11;/h1-4H;1H.
What are the key properties of 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide?
1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide has a molecular weight of 296.00 g/mol, XLogP of -2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium iodide is sourced from PubChem (CID 140543541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).