2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine

C7H13F3N4 — CID 130242771

IUPAC2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine
SMILES[H]/N=C1\CNCCN1C(NC)C(F)(F)F
InChIInChI=1S/C7H13F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h6,11-13H,2-4H2,1H3/b11-5+
InChIKeyGMYHRJTZWBAUAT-VZUCSPMQSA-N
MW210.20 g/mol
LogP-0.02
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine

2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine (PubChem CID 130242771) has the molecular formula C7H13F3N4 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine
PubChem CID130242771
Molecular FormulaC7H13F3N4
Molecular Weight210.20 g/mol
Exact Mass210.11
IUPAC Name2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine
SMILES[H]/N=C1\CNCCN1C(NC)C(F)(F)F
InChIInChI=1S/C7H13F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h6,11-13H,2-4H2,1H3/b11-5+
InChIKeyGMYHRJTZWBAUAT-VZUCSPMQSA-N
XLogP-0.02
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine (CID 130242771) is 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine is [H]/N=C1\CNCCN1C(NC)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine?
The InChIKey is GMYHRJTZWBAUAT-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H13F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h6,11-13H,2-4H2,1H3/b11-5+.
What are the key properties of 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine?
2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine has a molecular weight of 210.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine is sourced from PubChem (CID 130242771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).