4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole

C6H9F3N2 — CID 173378998

IUPAC4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCCC1CN(C(F)(F)F)C=N1
InChIInChI=1S/C6H9F3N2/c1-2-5-3-11(4-10-5)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyHFHANYILQFJLSW-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.63
Rot. Bonds1

About 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole

4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 173378998) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID173378998
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCCC1CN(C(F)(F)F)C=N1
InChIInChI=1S/C6H9F3N2/c1-2-5-3-11(4-10-5)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyHFHANYILQFJLSW-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173379174
1-ethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669616
1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 173379104
2-(trifluoromethyl)-1,3-dihydro-1,2,4-triazole-3-carbaldehyde
CID 174952010
2,4-diethyl-3-(1,1,2,2,2-pentafluoroethyl)-3H-1,2,4-triazole
CID 87805897
2-ethyl-1-hydroxyaziridine
CID 21316390
1-ethyl-2-(trifluoromethyl)cyclobutane
CID 149336016
(3S,4S)-1-[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112080
[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 124625651
CID 58945024
CID 58945024
(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 162615953

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole (CID 173378998) is 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole is CCC1CN(C(F)(F)F)C=N1.
What is the InChIKey of 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is HFHANYILQFJLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-5-3-11(4-10-5)6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole?
4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 166.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).