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

C8H12F6N2O4 — CID 88726631

IUPACpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.2C2HF3O2/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7/h5-6H,1-4H2;2*(H,6,7)
InChIKeyDQOHQFZECPUYHK-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.45
Rot. Bonds

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

piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 88726631) has the molecular formula C8H12F6N2O4 and a molecular weight of 314.18 g/mol. Its IUPAC name is piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID88726631
Molecular FormulaC8H12F6N2O4
Molecular Weight314.18 g/mol
Exact Mass314.07
IUPAC Namepiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.2C2HF3O2/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7/h5-6H,1-4H2;2*(H,6,7)
InChIKeyDQOHQFZECPUYHK-UHFFFAOYSA-N
XLogP0.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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azepane;2,2,2-trifluoroacetic acid;hydrate
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2,2,2-trifluoroacetic acid;trihydrofluoride
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erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789

Frequently Asked Questions

What is the IUPAC name of piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperazine;bis(2,2,2-trifluoroacetic acid) (CID 88726631) is piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperazine;bis(2,2,2-trifluoroacetic acid) is C1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DQOHQFZECPUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2C2HF3O2/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7/h5-6H,1-4H2;2*(H,6,7).
What are the key properties of piperazine;bis(2,2,2-trifluoroacetic acid)?
piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 314.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 88726631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).