2,4,5-tris(trifluoromethyl)-1H-imidazole

C6HF9N2 — CID 12672663

IUPAC2,4,5-tris(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/h(H,16,17)
InChIKeyOZVCTLMZPYGWOJ-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.47
Rot. Bonds

About 2,4,5-tris(trifluoromethyl)-1H-imidazole

2,4,5-tris(trifluoromethyl)-1H-imidazole (PubChem CID 12672663) has the molecular formula C6HF9N2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 2,4,5-tris(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2,4,5-tris(trifluoromethyl)-1H-imidazole
PubChem CID12672663
Molecular FormulaC6HF9N2
Molecular Weight272.07 g/mol
Exact Mass272.00
IUPAC Name2,4,5-tris(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/h(H,16,17)
InChIKeyOZVCTLMZPYGWOJ-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4,5-tris(trifluoromethyl)-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 2,4,5-tris(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2,4,5-tris(trifluoromethyl)-1H-imidazole (CID 12672663) is 2,4,5-tris(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2,4,5-tris(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2,4,5-tris(trifluoromethyl)-1H-imidazole is FC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[nH]1.
What is the InChIKey of 2,4,5-tris(trifluoromethyl)-1H-imidazole?
The InChIKey is OZVCTLMZPYGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/h(H,16,17).
What are the key properties of 2,4,5-tris(trifluoromethyl)-1H-imidazole?
2,4,5-tris(trifluoromethyl)-1H-imidazole has a molecular weight of 272.07 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 12672663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).