1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid

C12H19F3N2O2 — CID 175103032

IUPAC1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCCCn1c(C)nc(C)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2.C2HF3O2/c1-5-6-7-12-9(3)8(2)11-10(12)4;3-2(4,5)1(6)7/h5-7H2,1-4H3;(H,6,7)
InChIKeyWECRCNVGJUXENX-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.24
Rot. Bonds3

About 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid

1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 175103032) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid
PubChem CID175103032
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid
SMILESCCCCn1c(C)nc(C)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2.C2HF3O2/c1-5-6-7-12-9(3)8(2)11-10(12)4;3-2(4,5)1(6)7/h5-7H2,1-4H3;(H,6,7)
InChIKeyWECRCNVGJUXENX-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid (CID 175103032) is 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid is CCCCn1c(C)nc(C)c1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is WECRCNVGJUXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C2HF3O2/c1-5-6-7-12-9(3)8(2)11-10(12)4;3-2(4,5)1(6)7/h5-7H2,1-4H3;(H,6,7).
What are the key properties of 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid?
1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 280.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4,5-trimethylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).