[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

C8H8F6N2O3 — CID 154651502

IUPAC[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CNCCN1C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O3/c9-7(10,11)5(17)16-2-1-15-3-4(16)19-6(18)8(12,13)14/h4,15H,1-3H2
InChIKeyXILKXAUMELHMCI-UHFFFAOYSA-N
MW294.15 g/mol
LogP0.41
Rot. Bonds1

About [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate

[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 154651502) has the molecular formula C8H8F6N2O3 and a molecular weight of 294.15 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
PubChem CID154651502
Molecular FormulaC8H8F6N2O3
Molecular Weight294.15 g/mol
Exact Mass294.04
IUPAC Name[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1CNCCN1C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O3/c9-7(10,11)5(17)16-2-1-15-3-4(16)19-6(18)8(12,13)14/h4,15H,1-3H2
InChIKeyXILKXAUMELHMCI-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate (CID 154651502) is [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is O=C(OC1CNCCN1C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is XILKXAUMELHMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O3/c9-7(10,11)5(17)16-2-1-15-3-4(16)19-6(18)8(12,13)14/h4,15H,1-3H2.
What are the key properties of [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate?
[1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 294.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroacetyl)piperazin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 154651502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).