2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)

C10H16F6N2O4 — CID 87093239

IUPAC2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCCC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.2C2HF3O2/c1-2-6-5-7-3-4-8-6;2*3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;2*(H,6,7)
InChIKeyPLHLLCCWOPYNKB-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.22
Rot. Bonds1

About 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)

2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87093239) has the molecular formula C10H16F6N2O4 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87093239
Molecular FormulaC10H16F6N2O4
Molecular Weight342.24 g/mol
Exact Mass342.10
IUPAC Name2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCCC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.2C2HF3O2/c1-2-6-5-7-3-4-8-6;2*3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;2*(H,6,7)
InChIKeyPLHLLCCWOPYNKB-UHFFFAOYSA-N
XLogP1.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
Ethylazanium;piperazin-1-ium;2,2,2-trifluoroacetate
CID 22346451
Bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
CID 22460992
1-(2,2-Dimethylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 23078986
2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 68439877
1,2-Dimethylpiperazine trifluoroacetic acid salt
CID 68440467
Piperazine;2-(sulfinatoamino)propane;2,2,2-trifluoroacetic acid
CID 68866134
1-Cyclobutyl-piperazine trifluoroacetic acid salt
CID 68900867
1-Cyclopropylpiperazine;2,2,2-trifluoroacetic acid
CID 69507228
1-(4-Fluoro-n-butyl)piperazine trifluoroacetic acid
CID 69793632
(R)-N-isopropylpyrrolidin-3-amine bis(2,2,2-trifluoroacetate)
CID 86642075
2-(1-Propyn-1-yl)piperazine bis(trifluoroacetate)
CID 86670441

Frequently Asked Questions

What is the IUPAC name of 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid) (CID 87093239) is 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid) is CCC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PLHLLCCWOPYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C2HF3O2/c1-2-6-5-7-3-4-8-6;2*3-2(4,5)1(6)7/h6-8H,2-5H2,1H3;2*(H,6,7).
What are the key properties of 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid)?
2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 342.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpiperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87093239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).