1,2,5-trifluoro-4-methylimidazole

C4H3F3N2 — CID 68646609

IUPAC1,2,5-trifluoro-4-methylimidazole
SMILESCc1nc(F)n(F)c1F
InChIInChI=1S/C4H3F3N2/c1-2-3(5)9(7)4(6)8-2/h1H3
InChIKeyWRVZPLMEABKKLI-UHFFFAOYSA-N
MW136.08 g/mol
LogP1.20
Rot. Bonds

About 1,2,5-trifluoro-4-methylimidazole

1,2,5-trifluoro-4-methylimidazole (PubChem CID 68646609) has the molecular formula C4H3F3N2 and a molecular weight of 136.08 g/mol. Its IUPAC name is 1,2,5-trifluoro-4-methylimidazole.

Molecular Properties

Compound Name1,2,5-trifluoro-4-methylimidazole
PubChem CID68646609
Molecular FormulaC4H3F3N2
Molecular Weight136.08 g/mol
Exact Mass136.02
IUPAC Name1,2,5-trifluoro-4-methylimidazole
SMILESCc1nc(F)n(F)c1F
InChIInChI=1S/C4H3F3N2/c1-2-3(5)9(7)4(6)8-2/h1H3
InChIKeyWRVZPLMEABKKLI-UHFFFAOYSA-N
XLogP1.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-methyl-1H-imidazole
CID 58058045
4-Fluoro-1-iodo-2,5-dimethylimidazole
CID 59576014
5-Fluoro-1,4-dimethylimidazole
CID 129033127
1-Fluoro-4,5-dimethylimidazole
CID 141990989
4-Fluoro-1,5-dimethylimidazole
CID 146392737
1-Chloro-4,5-dimethyl-2-(trifluoromethyl)imidazole
CID 156416409
2-Ethyl-1,4-difluoro-5-methylimidazole
CID 174754332
1,2,4-Trifluoro-5-propylimidazole
CID 19805601
2-fluoro-1,4,5-trimethyl-1H-imidazole
CID 165983418
1,2,4-Triiodo-5-methylimidazole
CID 126574809
1,2-Diiodo-4,5-dimethylimidazole
CID 129082887
2-Iodo-4,5-dimethylimidazol-3-ide
CID 140576564

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trifluoro-4-methylimidazole?
The IUPAC name of 1,2,5-trifluoro-4-methylimidazole (CID 68646609) is 1,2,5-trifluoro-4-methylimidazole.
What is the SMILES notation for 1,2,5-trifluoro-4-methylimidazole?
The canonical SMILES for 1,2,5-trifluoro-4-methylimidazole is Cc1nc(F)n(F)c1F.
What is the InChIKey of 1,2,5-trifluoro-4-methylimidazole?
The InChIKey is WRVZPLMEABKKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2/c1-2-3(5)9(7)4(6)8-2/h1H3.
What are the key properties of 1,2,5-trifluoro-4-methylimidazole?
1,2,5-trifluoro-4-methylimidazole has a molecular weight of 136.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trifluoro-4-methylimidazole is sourced from PubChem (CID 68646609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).