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

C10H13F9N2O6 — CID 172684173

IUPACpiperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.3C2HF3O2/c1-2-6-4-3-5-1;3*3-2(4,5)1(6)7/h5-6H,1-4H2;3*(H,6,7)
InChIKeyAURYVCSMQOSVNA-UHFFFAOYSA-N
MW428.20 g/mol
LogP1.08
Rot. Bonds

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

piperazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 172684173) has the molecular formula C10H13F9N2O6 and a molecular weight of 428.20 g/mol. Its IUPAC name is piperazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepiperazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID172684173
Molecular FormulaC10H13F9N2O6
Molecular Weight428.20 g/mol
Exact Mass428.06
IUPAC Namepiperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.3C2HF3O2/c1-2-6-4-3-5-1;3*3-2(4,5)1(6)7/h5-6H,1-4H2;3*(H,6,7)
InChIKeyAURYVCSMQOSVNA-UHFFFAOYSA-N
XLogP1.08
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 51.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of piperazine;tris(2,2,2-trifluoroacetic acid) (CID 172684173) is piperazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for piperazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for piperazine;tris(2,2,2-trifluoroacetic acid) is C1CNCCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of piperazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is AURYVCSMQOSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.3C2HF3O2/c1-2-6-4-3-5-1;3*3-2(4,5)1(6)7/h5-6H,1-4H2;3*(H,6,7).
What are the key properties of piperazine;tris(2,2,2-trifluoroacetic acid)?
piperazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 428.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172684173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).