1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate

C8H12F3N2O2- — CID 91504585

IUPAC1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate
SMILESCCN1C=CN(C)C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H12N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-5H,3,6H2,1-2H3;(H,6,7)/p-1
InChIKeySFPTVQNKTCPLAX-UHFFFAOYSA-M
MW225.19 g/mol
LogP-0.02
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate

1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate (PubChem CID 91504585) has the molecular formula C8H12F3N2O2- and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate
PubChem CID91504585
Molecular FormulaC8H12F3N2O2-
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC Name1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate
SMILESCCN1C=CN(C)C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H12N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-5H,3,6H2,1-2H3;(H,6,7)/p-1
InChIKeySFPTVQNKTCPLAX-UHFFFAOYSA-M
XLogP-0.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 5-0.02
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-imidazole;2,2,2-trifluoroacetate?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate (CID 91504585) is 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate is CCN1C=CN(C)C1.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate?
The InChIKey is SFPTVQNKTCPLAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-5H,3,6H2,1-2H3;(H,6,7)/p-1.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate?
1-ethyl-3-methyl-2H-imidazole;2,2,2-trifluoroacetate has a molecular weight of 225.19 g/mol, XLogP of -0.02, 1 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-imidazole;2,2,2-trifluoroacetate is sourced from PubChem (CID 91504585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).