1-propylimidazole;2,2,2-trifluoroacetic acid

C8H11F3N2O2 — CID 171929666

IUPAC1-propylimidazole;2,2,2-trifluoroacetic acid
SMILESCCCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c1-2-4-8-5-3-7-6-8;3-2(4,5)1(6)7/h3,5-6H,2,4H2,1H3;(H,6,7)
InChIKeyPDTQWLXHZPAIMG-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.93
Rot. Bonds2

About 1-propylimidazole;2,2,2-trifluoroacetic acid

1-propylimidazole;2,2,2-trifluoroacetic acid (PubChem CID 171929666) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-propylimidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-propylimidazole;2,2,2-trifluoroacetic acid
PubChem CID171929666
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-propylimidazole;2,2,2-trifluoroacetic acid
SMILESCCCn1ccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2.C2HF3O2/c1-2-4-8-5-3-7-6-8;3-2(4,5)1(6)7/h3,5-6H,2,4H2,1H3;(H,6,7)
InChIKeyPDTQWLXHZPAIMG-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylimidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-propylimidazole;2,2,2-trifluoroacetic acid (CID 171929666) is 1-propylimidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-propylimidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-propylimidazole;2,2,2-trifluoroacetic acid is CCCn1ccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-propylimidazole;2,2,2-trifluoroacetic acid?
The InChIKey is PDTQWLXHZPAIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2HF3O2/c1-2-4-8-5-3-7-6-8;3-2(4,5)1(6)7/h3,5-6H,2,4H2,1H3;(H,6,7).
What are the key properties of 1-propylimidazole;2,2,2-trifluoroacetic acid?
1-propylimidazole;2,2,2-trifluoroacetic acid has a molecular weight of 224.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171929666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).