1-bromo-4-(2,2,2-trifluoroethoxy)imidazole

C5H4BrF3N2O — CID 91251218

IUPAC1-bromo-4-(2,2,2-trifluoroethoxy)imidazole
SMILESFC(F)(F)COc1cn(Br)cn1
InChIInChI=1S/C5H4BrF3N2O/c6-11-1-4(10-3-11)12-2-5(7,8)9/h1,3H,2H2
InChIKeyOZXDLGFGLVZDPG-UHFFFAOYSA-N
MW245.00 g/mol
LogP1.98
Rot. Bonds2

About 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole

1-bromo-4-(2,2,2-trifluoroethoxy)imidazole (PubChem CID 91251218) has the molecular formula C5H4BrF3N2O and a molecular weight of 245.00 g/mol. Its IUPAC name is 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole.

Molecular Properties

Compound Name1-bromo-4-(2,2,2-trifluoroethoxy)imidazole
PubChem CID91251218
Molecular FormulaC5H4BrF3N2O
Molecular Weight245.00 g/mol
Exact Mass243.95
IUPAC Name1-bromo-4-(2,2,2-trifluoroethoxy)imidazole
SMILESFC(F)(F)COc1cn(Br)cn1
InChIInChI=1S/C5H4BrF3N2O/c6-11-1-4(10-3-11)12-2-5(7,8)9/h1,3H,2H2
InChIKeyOZXDLGFGLVZDPG-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.00
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)imidazol-1-yl]ethanone
CID 91091809
5-(2,2,2-trifluoroethoxy)-1H-imidazole
CID 91424153
1,2-Dimethyl-5-(trifluoromethoxy)imidazole
CID 118466146
1,2-Dimethyl-4-(trifluoromethoxy)imidazole
CID 118466330
1-Methyl-4-(trifluoromethoxy)imidazole
CID 123263183
1-Methyl-5-(trifluoromethoxy)imidazole
CID 123853804
N-[2-(1-cyclopropylimidazol-4-yl)oxyethyl]-2,2-difluoro-N-methylethanamine
CID 175549267
2,4-Diethoxy-1-methylimidazole
CID 21994927
1-Methyl-4-propan-2-yloxyimidazole
CID 57186898
4-Ethoxy-1-methylimidazole
CID 57213899
1-Bromo-4-methoxyimidazole
CID 90815586
4-Ethoxy-1,2-dimethylimidazole
CID 118061801

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole?
The IUPAC name of 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole (CID 91251218) is 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole.
What is the SMILES notation for 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole?
The canonical SMILES for 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole is FC(F)(F)COc1cn(Br)cn1.
What is the InChIKey of 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole?
The InChIKey is OZXDLGFGLVZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF3N2O/c6-11-1-4(10-3-11)12-2-5(7,8)9/h1,3H,2H2.
What are the key properties of 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole?
1-bromo-4-(2,2,2-trifluoroethoxy)imidazole has a molecular weight of 245.00 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,2,2-trifluoroethoxy)imidazole is sourced from PubChem (CID 91251218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).