6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

C8H13F3N4 — CID 144563742

IUPAC6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCC(CC)N1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-2-5-3-14-4-6(12)15(5)7(13)8(9,10)11/h5,12-14H,2-4H2,1H3/b12-6+,13-7+
InChIKeyHZQSZIOROGKKAO-PWHKKFIBSA-N
MW222.21 g/mol
LogP1.19
Rot. Bonds1

About 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (PubChem CID 144563742) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.

Molecular Properties

Compound Name6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
PubChem CID144563742
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCC(CC)N1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-2-5-3-14-4-6(12)15(5)7(13)8(9,10)11/h5,12-14H,2-4H2,1H3/b12-6+,13-7+
InChIKeyHZQSZIOROGKKAO-PWHKKFIBSA-N
XLogP1.19
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The IUPAC name of 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (CID 144563742) is 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.
What is the SMILES notation for 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The canonical SMILES for 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is [H]/N=C1\CNCC(CC)N1/C(=N/[H])C(F)(F)F.
What is the InChIKey of 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The InChIKey is HZQSZIOROGKKAO-PWHKKFIBSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-2-5-3-14-4-6(12)15(5)7(13)8(9,10)11/h5,12-14H,2-4H2,1H3/b12-6+,13-7+.
What are the key properties of 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine has a molecular weight of 222.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is sourced from PubChem (CID 144563742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).