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

C8H11F3N2O2 — CID 66664729

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1C=CN(C)C1OC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-13-5-4-12(2)7(13)15-6(14)8(9,10)11/h4-5,7H,3H2,1-2H3
InChIKeySSWOPOJMCTVAHK-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.11
Rot. Bonds2

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

(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate (PubChem CID 66664729) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
PubChem CID66664729
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1C=CN(C)C1OC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-13-5-4-12(2)7(13)15-6(14)8(9,10)11/h4-5,7H,3H2,1-2H3
InChIKeySSWOPOJMCTVAHK-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate (CID 66664729) is (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate is CCN1C=CN(C)C1OC(=O)C(F)(F)F.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is SSWOPOJMCTVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-3-13-5-4-12(2)7(13)15-6(14)8(9,10)11/h4-5,7H,3H2,1-2H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 224.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 66664729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).