1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium

C6H7F4N2+ — CID 87105358

IUPAC1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium
SMILESC[n+]1ccn(C(F)(F)C(F)F)c1
InChIInChI=1S/C6H7F4N2/c1-11-2-3-12(4-11)6(9,10)5(7)8/h2-5H,1H3/q+1
InChIKeyYAUXRLZFQACJSH-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.13
Rot. Bonds2

About 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium

1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium (PubChem CID 87105358) has the molecular formula C6H7F4N2+ and a molecular weight of 183.13 g/mol. Its IUPAC name is 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium
PubChem CID87105358
Molecular FormulaC6H7F4N2+
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium
SMILESC[n+]1ccn(C(F)(F)C(F)F)c1
InChIInChI=1S/C6H7F4N2/c1-11-2-3-12(4-11)6(9,10)5(7)8/h2-5H,1H3/q+1
InChIKeyYAUXRLZFQACJSH-UHFFFAOYSA-N
XLogP1.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylimidazol-3-ium-1-yl)ethane-1,1-diol
CID 175040432
1-(1,2,2,3,3,3-hexafluoropropyl)-3-methylimidazol-3-ium
CID 89077328
1-methyl-3-(2-methylbutan-2-yl)imidazol-1-ium
CID 59783021
1-(2,2-difluoroethyl)-3-methylimidazol-3-ium
CID 164532230
1-methyl-3-(3-methylimidazol-3-ium-1-yl)imidazol-1-ium
CID 102495920
1-ethyl-3-methylimidazol-3-ium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 87285145
1-ethyl-3-methylimidazol-3-ium;1,1,2,2,3-pentafluorobutane-1-sulfonate
CID 142680828
1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
CID 87337810
1-(2,2,3,3,4,4,4-heptafluorobutyl)-3-methylimidazol-3-ium
CID 102032954
1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
1,3-dimethylimidazol-1-ium;ethane
CID 90798185
1-butyl-3-methylimidazol-3-ium;1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 87284996

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium?
The IUPAC name of 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium (CID 87105358) is 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium.
What is the SMILES notation for 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium?
The canonical SMILES for 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium is C[n+]1ccn(C(F)(F)C(F)F)c1.
What is the InChIKey of 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium?
The InChIKey is YAUXRLZFQACJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N2/c1-11-2-3-12(4-11)6(9,10)5(7)8/h2-5H,1H3/q+1.
What are the key properties of 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium?
1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium has a molecular weight of 183.13 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium is sourced from PubChem (CID 87105358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).