4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

C7H11F3N2 — CID 173378802

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESCCC1CN(CC(F)(F)F)C=N1
InChIInChI=1S/C7H11F3N2/c1-2-6-3-12(5-11-6)4-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyDFNYUTNOFVOVSH-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.67
Rot. Bonds2

About 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (PubChem CID 173378802) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
PubChem CID173378802
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESCCC1CN(CC(F)(F)F)C=N1
InChIInChI=1S/C7H11F3N2/c1-2-6-3-12(5-11-6)4-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyDFNYUTNOFVOVSH-UHFFFAOYSA-N
XLogP1.67
TPSA15.60 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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (CID 173378802) is 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is CCC1CN(CC(F)(F)F)C=N1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The InChIKey is DFNYUTNOFVOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-6-3-12(5-11-6)4-7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole has a molecular weight of 180.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).