2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine

C6H10F3N3 — CID 138040806

IUPAC2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine
SMILESNCCN1CCN=C1C(F)(F)F
InChIInChI=1S/C6H10F3N3/c7-6(8,9)5-11-2-4-12(5)3-1-10/h1-4,10H2
InChIKeyQZCKONJRWOJSQI-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.22
Rot. Bonds2

About 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine

2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine (PubChem CID 138040806) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine
PubChem CID138040806
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine
SMILESNCCN1CCN=C1C(F)(F)F
InChIInChI=1S/C6H10F3N3/c7-6(8,9)5-11-2-4-12(5)3-1-10/h1-4,10H2
InChIKeyQZCKONJRWOJSQI-UHFFFAOYSA-N
XLogP0.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine (CID 138040806) is 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine is NCCN1CCN=C1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine?
The InChIKey is QZCKONJRWOJSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3/c7-6(8,9)5-11-2-4-12(5)3-1-10/h1-4,10H2.
What are the key properties of 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine?
2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine has a molecular weight of 181.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine is sourced from PubChem (CID 138040806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).