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

C5H5F3N2 — CID 13288518

IUPAC1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,4H,3H2
InChIKeySIQDXYGMYLVBTA-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.45
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 13288518) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)imidazole
PubChem CID13288518
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,4H,3H2
InChIKeySIQDXYGMYLVBTA-UHFFFAOYSA-N
XLogP1.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
N-(2,2-difluoro-3-imidazol-1-ylpropyl)cyclopropanamine
CID 165466349
1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
CID 3062753
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine
CID 141397885
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
calcium;hydride;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
CID 173032370
N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
CID 55280057
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 1-(2,2,2-trifluoroethyl)imidazole (CID 13288518) is 1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1ccnc1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is SIQDXYGMYLVBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)3-10-2-1-9-4-10/h1-2,4H,3H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)imidazole?
1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 150.10 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 13288518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).