1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

C7H11F3N2 — CID 66681333

IUPAC1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCCN1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2/c1-2-11-3-4-12(6-11)5-7(8,9)10/h3-4H,2,5-6H2,1H3
InChIKeyMMPPDRUIYLYTGL-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.61
Rot. Bonds2

About 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (PubChem CID 66681333) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
PubChem CID66681333
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCCN1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2/c1-2-11-3-4-12(6-11)5-7(8,9)10/h3-4H,2,5-6H2,1H3
InChIKeyMMPPDRUIYLYTGL-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diethyl-2,3-dihydro-1H-imidazole
CID 19358755
1-Vinyl-3-ethyl imidazole
CID 19358762
1-ethyl-3-methyl-2H-imidazole
CID 5245486
1-Methyl-3-(1,1,2,2-tetrafluoroethyl)imidazole-2-selone
CID 17561166
2-fluoro-1,3-dimethyl-2H-imidazole
CID 17776894
1-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
CID 21869090
1-methyl-3-(trifluoromethyl)-2H-imidazole
CID 23140770
1-Ethyl-2-fluoro-3-methyl-2,3-dihydro-1H-imidazole
CID 45087417
2,2-Difluoro-1,3-dimethylimidazole
CID 54543701
CID 59469810
CID 59469810
1-butyl-3-(trifluoromethyl)-2H-imidazole
CID 66669555
1-propyl-3-(trifluoromethyl)-2H-imidazole
CID 66669556

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (CID 66681333) is 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The canonical SMILES for 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is CCN1C=CN(CC(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The InChIKey is MMPPDRUIYLYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-11-3-4-12(6-11)5-7(8,9)10/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole has a molecular weight of 180.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is sourced from PubChem (CID 66681333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).