1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate

C11H16F6N2O3 — CID 118322169

IUPAC1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate
SMILESCC(=O)[O-].CCn1cc[n+](C)c1.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H11N2.C3H2F6O.C2H4O2/c1-3-8-5-4-7(2)6-8;4-1(5)2(6,10)3(7,8)9;1-2(3)4/h4-6H,3H2,1-2H3;1,10H;1H3,(H,3,4)/q+1;;/p-1
InChIKeyCUMAWPKKGQOPLB-UHFFFAOYSA-M
MW338.25 g/mol
LogP0.56
Rot. Bonds2

About 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate

1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate (PubChem CID 118322169) has the molecular formula C11H16F6N2O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate
PubChem CID118322169
Molecular FormulaC11H16F6N2O3
Molecular Weight338.25 g/mol
Exact Mass338.11
IUPAC Name1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate
SMILESCC(=O)[O-].CCn1cc[n+](C)c1.OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C6H11N2.C3H2F6O.C2H4O2/c1-3-8-5-4-7(2)6-8;4-1(5)2(6,10)3(7,8)9;1-2(3)4/h4-6H,3H2,1-2H3;1,10H;1H3,(H,3,4)/q+1;;/p-1
InChIKeyCUMAWPKKGQOPLB-UHFFFAOYSA-M
XLogP0.56
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate (CID 118322169) is 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate is CC(=O)[O-].CCn1cc[n+](C)c1.OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate?
The InChIKey is CUMAWPKKGQOPLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11N2.C3H2F6O.C2H4O2/c1-3-8-5-4-7(2)6-8;4-1(5)2(6,10)3(7,8)9;1-2(3)4/h4-6H,3H2,1-2H3;1,10H;1H3,(H,3,4)/q+1;;/p-1.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate?
1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate has a molecular weight of 338.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;1,1,1,2,3,3-hexafluoropropan-2-ol;acetate is sourced from PubChem (CID 118322169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).