2,2,2-trifluoro-1-piperazin-1-ylethanimine

C6H10F3N3 — CID 123835868

IUPAC2,2,2-trifluoro-1-piperazin-1-ylethanimine
SMILES[H]/N=C(\N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c7-6(8,9)5(10)12-3-1-11-2-4-12/h10-11H,1-4H2/b10-5-
InChIKeyQPPVJUIXAXDUGV-YHYXMXQVSA-N
MW181.16 g/mol
LogP0.43
Rot. Bonds

About 2,2,2-trifluoro-1-piperazin-1-ylethanimine

2,2,2-trifluoro-1-piperazin-1-ylethanimine (PubChem CID 123835868) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperazin-1-ylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperazin-1-ylethanimine
PubChem CID123835868
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name2,2,2-trifluoro-1-piperazin-1-ylethanimine
SMILES[H]/N=C(\N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c7-6(8,9)5(10)12-3-1-11-2-4-12/h10-11H,1-4H2/b10-5-
InChIKeyQPPVJUIXAXDUGV-YHYXMXQVSA-N
XLogP0.43
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperazin-1-ylethanimine?
The IUPAC name of 2,2,2-trifluoro-1-piperazin-1-ylethanimine (CID 123835868) is 2,2,2-trifluoro-1-piperazin-1-ylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-piperazin-1-ylethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-piperazin-1-ylethanimine is [H]/N=C(\N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperazin-1-ylethanimine?
The InChIKey is QPPVJUIXAXDUGV-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H10F3N3/c7-6(8,9)5(10)12-3-1-11-2-4-12/h10-11H,1-4H2/b10-5-.
What are the key properties of 2,2,2-trifluoro-1-piperazin-1-ylethanimine?
2,2,2-trifluoro-1-piperazin-1-ylethanimine has a molecular weight of 181.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperazin-1-ylethanimine is sourced from PubChem (CID 123835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).