2-(trifluoromethyl)-1H-imidazole

C4H3F3N2 — CID 585838

IUPAC2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc[nH]1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)3-8-1-2-9-3/h1-2H,(H,8,9)
InChIKeyKJMXVHBTWJSSBL-UHFFFAOYSA-N
MW136.08 g/mol
LogP1.43
Rot. Bonds

About 2-(trifluoromethyl)-1H-imidazole

2-(trifluoromethyl)-1H-imidazole (PubChem CID 585838) has the molecular formula C4H3F3N2 and a molecular weight of 136.08 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-imidazole
PubChem CID585838
Molecular FormulaC4H3F3N2
Molecular Weight136.08 g/mol
Exact Mass136.02
IUPAC Name2-(trifluoromethyl)-1H-imidazole
SMILESFC(F)(F)c1ncc[nH]1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)3-8-1-2-9-3/h1-2H,(H,8,9)
InChIKeyKJMXVHBTWJSSBL-UHFFFAOYSA-N
XLogP1.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(trifluoromethyl)-1H-imidazole (CID 585838) is 2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(trifluoromethyl)-1H-imidazole is FC(F)(F)c1ncc[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-1H-imidazole?
The InChIKey is KJMXVHBTWJSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2/c5-4(6,7)3-8-1-2-9-3/h1-2H,(H,8,9).
What are the key properties of 2-(trifluoromethyl)-1H-imidazole?
2-(trifluoromethyl)-1H-imidazole has a molecular weight of 136.08 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 585838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).