1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid

C8H11F3N2O3 — CID 174589919

IUPAC1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid
SMILESCC(O)c1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c1-5(9)6-7-3-4-8(6)2;3-2(4,5)1(6)7/h3-5,9H,1-2H3;(H,6,7)
InChIKeySJSNNYRTMGFGTN-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.11
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid

1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid (PubChem CID 174589919) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid
PubChem CID174589919
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid
SMILESCC(O)c1nccn1C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF3O2/c1-5(9)6-7-3-4-8(6)2;3-2(4,5)1(6)7/h3-5,9H,1-2H3;(H,6,7)
InChIKeySJSNNYRTMGFGTN-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid (CID 174589919) is 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid is CC(O)c1nccn1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is SJSNNYRTMGFGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2HF3O2/c1-5(9)6-7-3-4-8(6)2;3-2(4,5)1(6)7/h3-5,9H,1-2H3;(H,6,7).
What are the key properties of 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid?
1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 240.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174589919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).