2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole

C6H6ClF3N2 — CID 22938673

IUPAC2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1CCl
InChIInChI=1S/C6H6ClF3N2/c7-3-5-11-1-2-12(5)4-6(8,9)10/h1-2H,3-4H2
InChIKeyJEZJDJZELMSQHD-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.18
Rot. Bonds2

About 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole

2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 22938673) has the molecular formula C6H6ClF3N2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID22938673
Molecular FormulaC6H6ClF3N2
Molecular Weight198.58 g/mol
Exact Mass198.02
IUPAC Name2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1CCl
InChIInChI=1S/C6H6ClF3N2/c7-3-5-11-1-2-12(5)4-6(8,9)10/h1-2H,3-4H2
InChIKeyJEZJDJZELMSQHD-UHFFFAOYSA-N
XLogP2.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-(methoxymethyl)imidazole
CID 14316830
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 82561970
2-(chloromethyl)-1-(ethoxymethyl)imidazole
CID 65369655
1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 75374967
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195
4-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909639
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
5-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120899856
1-cyclopentyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119121482
4-[4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methoxy]phenyl]-1,2,4-triazolidine-3,5-dione
CID 167952705

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole (CID 22938673) is 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is JEZJDJZELMSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2/c7-3-5-11-1-2-12(5)4-6(8,9)10/h1-2H,3-4H2.
What are the key properties of 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole?
2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 198.58 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 22938673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).