2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine

C8H12F6N2O2 — CID 87099738

IUPAC2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F3N2.C2HF3O2/c7-6(8,9)5-11-3-1-10-2-4-11;3-2(4,5)1(6)7/h10H,1-5H2;(H,6,7)
InChIKeyGZKPUQUOROTAIP-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.09
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine

2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 87099738) has the molecular formula C8H12F6N2O2 and a molecular weight of 282.18 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine
PubChem CID87099738
Molecular FormulaC8H12F6N2O2
Molecular Weight282.18 g/mol
Exact Mass282.08
IUPAC Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F3N2.C2HF3O2/c7-6(8,9)5-11-3-1-10-2-4-11;3-2(4,5)1(6)7/h10H,1-5H2;(H,6,7)
InChIKeyGZKPUQUOROTAIP-UHFFFAOYSA-N
XLogP1.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Heptafluorobutanoic acid--piperazine (1/1)
CID 54603110
Trifluoroacetic acid--piperazine (1/1)
CID 54600171
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
Piperazin-4-ium trifluoroacetate salt
CID 21903395
2-Piperazin-1-ylacetonitrile;2,2,2-trifluoroacetic acid
CID 21936036
Ethylazanium;piperazin-1-ium;2,2,2-trifluoroacetate
CID 22346451
Bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
CID 22460992
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
2-Piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
CID 22722759
1-(2,2-Dimethylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 23078986
1-Methylpiperazin-1-ium;2,2,2-trifluoroacetate
CID 67339379
2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 68439877

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine (CID 87099738) is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is GZKPUQUOROTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.C2HF3O2/c7-6(8,9)5-11-3-1-10-2-4-11;3-2(4,5)1(6)7/h10H,1-5H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine?
2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 282.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 87099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).