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

C10H19F6N3O4 — CID 171926670

IUPACethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.CCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.2C2HF3O2.C2H7N/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7;1-2-3/h5-6H,1-4H2;2*(H,6,7);2-3H2,1H3
InChIKeyHOQMHHMQVZMMGI-UHFFFAOYSA-N
MW359.27 g/mol
LogP0.41
Rot. Bonds

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

ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171926670) has the molecular formula C10H19F6N3O4 and a molecular weight of 359.27 g/mol. Its IUPAC name is ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171926670
Molecular FormulaC10H19F6N3O4
Molecular Weight359.27 g/mol
Exact Mass359.13
IUPAC Nameethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CNCCN1.CCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.2C2HF3O2.C2H7N/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7;1-2-3/h5-6H,1-4H2;2*(H,6,7);2-3H2,1H3
InChIKeyHOQMHHMQVZMMGI-UHFFFAOYSA-N
XLogP0.41
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 50.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid) (CID 171926670) is ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid) is C1CNCCN1.CCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is HOQMHHMQVZMMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2C2HF3O2.C2H7N/c1-2-6-4-3-5-1;2*3-2(4,5)1(6)7;1-2-3/h5-6H,1-4H2;2*(H,6,7);2-3H2,1H3.
What are the key properties of ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid)?
ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 359.27 g/mol, XLogP of 0.41, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171926670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).