1-(trifluoromethyl)imidazole

C4H3F3N2 — CID 12899028

IUPAC1-(trifluoromethyl)imidazole
SMILESFC(F)(F)n1ccnc1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H
InChIKeyRLXUXICUOSILHE-UHFFFAOYSA-N
MW136.08 g/mol
LogP1.36
Rot. Bonds

About 1-(trifluoromethyl)imidazole

1-(trifluoromethyl)imidazole (PubChem CID 12899028) has the molecular formula C4H3F3N2 and a molecular weight of 136.08 g/mol. Its IUPAC name is 1-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(trifluoromethyl)imidazole
PubChem CID12899028
Molecular FormulaC4H3F3N2
Molecular Weight136.08 g/mol
Exact Mass136.02
IUPAC Name1-(trifluoromethyl)imidazole
SMILESFC(F)(F)n1ccnc1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H
InChIKeyRLXUXICUOSILHE-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
n-Propylimidazole
CID 118785
1-Ethyl-3-methylimidazolium hexafluorophosphate
CID 2758873
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1-Methyl-3-propylimidazolium hexafluorophosphate
CID 60196380

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)imidazole?
The IUPAC name of 1-(trifluoromethyl)imidazole (CID 12899028) is 1-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(trifluoromethyl)imidazole is FC(F)(F)n1ccnc1.
What is the InChIKey of 1-(trifluoromethyl)imidazole?
The InChIKey is RLXUXICUOSILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H.
What are the key properties of 1-(trifluoromethyl)imidazole?
1-(trifluoromethyl)imidazole has a molecular weight of 136.08 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)imidazole is sourced from PubChem (CID 12899028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).