1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate

C9H13F3N2O2 — CID 118062459

IUPAC1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate
SMILESCC[NH+]1C=C(C)N=C1C.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H12N2.C2HF3O2/c1-4-9-5-6(2)8-7(9)3;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7)
InChIKeyNKAZZVMNBYXPOO-UHFFFAOYSA-N
MW238.21 g/mol
LogP-0.52
Rot. Bonds1

About 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate

1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate (PubChem CID 118062459) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate
PubChem CID118062459
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate
SMILESCC[NH+]1C=C(C)N=C1C.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H12N2.C2HF3O2/c1-4-9-5-6(2)8-7(9)3;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7)
InChIKeyNKAZZVMNBYXPOO-UHFFFAOYSA-N
XLogP-0.52
TPSA56.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2,2,2-trifluoroacetate
CID 517019
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
2,2,2-trifluoroacetate acetate
CID 19379527
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
zinc 2,2,2-trifluoroacetate
CID 22604677
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
4-methyl-1-propylpyridin-1-ium;2,2,2-trifluoroacetate
CID 118062447
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
1-propyl-4,5-dihydro-1H-imidazol-1-ium;2,2,2-trifluoroacetate
CID 142707336
lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate (CID 118062459) is 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate is CC[NH+]1C=C(C)N=C1C.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate?
The InChIKey is NKAZZVMNBYXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2HF3O2/c1-4-9-5-6(2)8-7(9)3;3-2(4,5)1(6)7/h5H,4H2,1-3H3;(H,6,7).
What are the key properties of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate?
1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate has a molecular weight of 238.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 118062459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).