2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine

C6H8F3N3 — CID 112712238

IUPAC2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)12-4-11-3-5(12)1-2-10/h3-4H,1-2,10H2
InChIKeyJALVXSKUDUDKAN-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.86
Rot. Bonds2

About 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine

2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine (PubChem CID 112712238) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine
PubChem CID112712238
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)12-4-11-3-5(12)1-2-10/h3-4H,1-2,10H2
InChIKeyJALVXSKUDUDKAN-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine (CID 112712238) is 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine is NCCc1cncn1C(F)(F)F.
What is the InChIKey of 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine?
The InChIKey is JALVXSKUDUDKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)12-4-11-3-5(12)1-2-10/h3-4H,1-2,10H2.
What are the key properties of 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine?
2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine has a molecular weight of 179.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 112712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).