5-(2,2,2-trifluoroethoxy)-1H-imidazole

C5H5F3N2O — CID 91424153

IUPAC5-(2,2,2-trifluoroethoxy)-1H-imidazole
SMILESFC(F)(F)COc1cnc[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-11-4-1-9-3-10-4/h1,3H,2H2,(H,9,10)
InChIKeySUVQXZCINUCKHC-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.35
Rot. Bonds2

About 5-(2,2,2-trifluoroethoxy)-1H-imidazole

5-(2,2,2-trifluoroethoxy)-1H-imidazole (PubChem CID 91424153) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)-1H-imidazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)-1H-imidazole
PubChem CID91424153
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-(2,2,2-trifluoroethoxy)-1H-imidazole
SMILESFC(F)(F)COc1cnc[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-11-4-1-9-3-10-4/h1,3H,2H2,(H,9,10)
InChIKeySUVQXZCINUCKHC-UHFFFAOYSA-N
XLogP1.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2,2-trifluoroethoxy)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)-1H-imidazole?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)-1H-imidazole (CID 91424153) is 5-(2,2,2-trifluoroethoxy)-1H-imidazole.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)-1H-imidazole?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)-1H-imidazole is FC(F)(F)COc1cnc[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)-1H-imidazole?
The InChIKey is SUVQXZCINUCKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)2-11-4-1-9-3-10-4/h1,3H,2H2,(H,9,10).
What are the key properties of 5-(2,2,2-trifluoroethoxy)-1H-imidazole?
5-(2,2,2-trifluoroethoxy)-1H-imidazole has a molecular weight of 166.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)-1H-imidazole is sourced from PubChem (CID 91424153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).