2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine

C8H12F3N3O — CID 106721007

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-5-7(1-2-12)13-6-14/h5-6H,1-4,12H2
InChIKeyBYITXHBMPWMWKO-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.92
Rot. Bonds5

About 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine

2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106721007) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine
PubChem CID106721007
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine
SMILESNCCc1cn(CCOC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-5-7(1-2-12)13-6-14/h5-6H,1-4,12H2
InChIKeyBYITXHBMPWMWKO-UHFFFAOYSA-N
XLogP0.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine (CID 106721007) is 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine is NCCc1cn(CCOC(F)(F)F)cn1.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is BYITXHBMPWMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)15-4-3-14-5-7(1-2-12)13-6-14/h5-6H,1-4,12H2.
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine?
2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106721007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).