1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol

C8H11F3N2O2 — CID 106952297

IUPAC1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol
SMILESCn1cc(O)nc1CCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-13-4-7(14)12-6(13)2-3-15-5-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyFBNHTKFVEJNIHW-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.25
Rot. Bonds4

About 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol

1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol (PubChem CID 106952297) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol.

Molecular Properties

Compound Name1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol
PubChem CID106952297
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol
SMILESCn1cc(O)nc1CCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-13-4-7(14)12-6(13)2-3-15-5-8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyFBNHTKFVEJNIHW-UHFFFAOYSA-N
XLogP1.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.25
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 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol?
The IUPAC name of 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol (CID 106952297) is 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol.
What is the SMILES notation for 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol?
The canonical SMILES for 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol is Cn1cc(O)nc1CCOCC(F)(F)F.
What is the InChIKey of 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol?
The InChIKey is FBNHTKFVEJNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-13-4-7(14)12-6(13)2-3-15-5-8(9,10)11/h4,14H,2-3,5H2,1H3.
What are the key properties of 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol?
1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol has a molecular weight of 224.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-ol is sourced from PubChem (CID 106952297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).