piperazin-1-yl 2,2,2-trifluoroacetate

C6H9F3N2O2 — CID 57256971

IUPACpiperazin-1-yl 2,2,2-trifluoroacetate
SMILESO=C(ON1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(12)13-11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyJPYNWHFDRITIMA-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.09
Rot. Bonds1

About piperazin-1-yl 2,2,2-trifluoroacetate

piperazin-1-yl 2,2,2-trifluoroacetate (PubChem CID 57256971) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is piperazin-1-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepiperazin-1-yl 2,2,2-trifluoroacetate
PubChem CID57256971
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Namepiperazin-1-yl 2,2,2-trifluoroacetate
SMILESO=C(ON1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(12)13-11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyJPYNWHFDRITIMA-UHFFFAOYSA-N
XLogP-0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trifluoroacetic acid--piperazine (1/1)
CID 54600171
Piperazinyl acetate
CID 54492305
Piperazin-4-ium trifluoroacetate salt
CID 21903395
1-Methylsulfanyloxypiperazine;2,2,2-trifluoroacetic acid
CID 66977460
1-Methylpiperazin-1-ium;2,2,2-trifluoroacetate
CID 67339379
(2-Oxopiperazin-1-yl) 2,2,2-trifluoroacetate
CID 67358101
1-(2-Aminoethyl)piperazinium trifluoroacetate
CID 68655173
[1-(2-Aminoethyl)piperazin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 87532040
Piperazine-1,4-diium;bis(2,2,2-trifluoroacetate)
CID 87662718
[Methyl-[2-(methylamino)ethyl]amino] 2,2,2-trifluoroacetate
CID 87792869
(Piperazin-1-ylsulfonylamino) 2,2,2-trifluoroacetate
CID 140110116
1,1-Dimethylpiperazin-1-ium;2,2,2-trifluoroacetate
CID 145735698

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl 2,2,2-trifluoroacetate?
The IUPAC name of piperazin-1-yl 2,2,2-trifluoroacetate (CID 57256971) is piperazin-1-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for piperazin-1-yl 2,2,2-trifluoroacetate?
The canonical SMILES for piperazin-1-yl 2,2,2-trifluoroacetate is O=C(ON1CCNCC1)C(F)(F)F.
What is the InChIKey of piperazin-1-yl 2,2,2-trifluoroacetate?
The InChIKey is JPYNWHFDRITIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)5(12)13-11-3-1-10-2-4-11/h10H,1-4H2.
What are the key properties of piperazin-1-yl 2,2,2-trifluoroacetate?
piperazin-1-yl 2,2,2-trifluoroacetate has a molecular weight of 198.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 57256971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).