2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid

C10H15F3N2O3 — CID 171922942

IUPAC2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCOCCCc1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.C2HF3O2/c1-10-6-5-9-8(10)4-3-7-11-2;3-2(4,5)1(6)7/h5-6H,3-4,7H2,1-2H3;(H,6,7)
InChIKeyPCXMWOSOVAUZGM-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid

2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 171922942) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid
PubChem CID171922942
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid
SMILESCOCCCc1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O.C2HF3O2/c1-10-6-5-9-8(10)4-3-7-11-2;3-2(4,5)1(6)7/h5-6H,3-4,7H2,1-2H3;(H,6,7)
InChIKeyPCXMWOSOVAUZGM-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid (CID 171922942) is 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid is COCCCc1nccn1C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is PCXMWOSOVAUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2HF3O2/c1-10-6-5-9-8(10)4-3-7-11-2;3-2(4,5)1(6)7/h5-6H,3-4,7H2,1-2H3;(H,6,7).
What are the key properties of 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid?
2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1-methylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171922942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).