2,4,5-tris(trifluoromethyl)imidazol-3-ide

C6F9N2- — CID 154612671

IUPAC2,4,5-tris(trifluoromethyl)imidazol-3-ide
SMILESFC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[n-]1
InChIInChI=1S/C6F9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/q-1
InChIKeyAZRFSFNLHUNIBK-UHFFFAOYSA-N
MW271.06 g/mol
LogP3.10
Rot. Bonds

About 2,4,5-tris(trifluoromethyl)imidazol-3-ide

2,4,5-tris(trifluoromethyl)imidazol-3-ide (PubChem CID 154612671) has the molecular formula C6F9N2- and a molecular weight of 271.06 g/mol. Its IUPAC name is 2,4,5-tris(trifluoromethyl)imidazol-3-ide.

Molecular Properties

Compound Name2,4,5-tris(trifluoromethyl)imidazol-3-ide
PubChem CID154612671
Molecular FormulaC6F9N2-
Molecular Weight271.06 g/mol
Exact Mass270.99
IUPAC Name2,4,5-tris(trifluoromethyl)imidazol-3-ide
SMILESFC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[n-]1
InChIInChI=1S/C6F9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/q-1
InChIKeyAZRFSFNLHUNIBK-UHFFFAOYSA-N
XLogP3.10
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4,5-tris(trifluoromethyl)imidazol-3-ide 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

Lithium 4,5-dicyano-2-(trifluoromethyl)imidazolate
CID 73995168
2,4,5-Tris(trifluoromethyl)imidazole
CID 12672663
Lithium 4,5-dicyano-2-(pentafluoroethyl) imidazolide
CID 101538109
Sodium 4,5-dicyano-2-(trifluoromethyl)imidazolate
CID 155726935
Sodium 4,5-dicyano-2-(pentafluoroethyl)imidazolate
CID 159633470
4-Fluoro-1-iodo-2,5-dimethylimidazole
CID 59576014
4-Methyl-2,5-bis(trifluoromethyl)imidazol-1-amine
CID 137392956
1-Iodo-2-(trifluoromethyl)imidazole-4,5-dicarbonitrile
CID 146510312
[3-Difluoroboranyl-2,4,5-tris(trifluoromethyl)imidazol-1-ium-1-yl]-difluoroborane
CID 154612676
1-Chloro-4,5-dimethyl-2-(trifluoromethyl)imidazole
CID 156416409
1-[Difluoro(iodo)methyl]-2,4,5-trimethylimidazole
CID 156762909
[3-Difluoroboranyl-2,4,5-tris(trifluoromethyl)imidazol-1-ium-1-yl]-difluoroborane difluoride
CID 161764247

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(trifluoromethyl)imidazol-3-ide?
The IUPAC name of 2,4,5-tris(trifluoromethyl)imidazol-3-ide (CID 154612671) is 2,4,5-tris(trifluoromethyl)imidazol-3-ide.
What is the SMILES notation for 2,4,5-tris(trifluoromethyl)imidazol-3-ide?
The canonical SMILES for 2,4,5-tris(trifluoromethyl)imidazol-3-ide is FC(F)(F)c1nc(C(F)(F)F)c(C(F)(F)F)[n-]1.
What is the InChIKey of 2,4,5-tris(trifluoromethyl)imidazol-3-ide?
The InChIKey is AZRFSFNLHUNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F9N2/c7-4(8,9)1-2(5(10,11)12)17-3(16-1)6(13,14)15/q-1.
What are the key properties of 2,4,5-tris(trifluoromethyl)imidazol-3-ide?
2,4,5-tris(trifluoromethyl)imidazol-3-ide has a molecular weight of 271.06 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(trifluoromethyl)imidazol-3-ide is sourced from PubChem (CID 154612671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).