bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine

C11H18F6N2O4 — CID 22460992

IUPACbis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
SMILESCC1CNCC(C)N1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.2C2HF3O2/c1-6-4-8-5-7(2)9(6)3;2*3-2(4,5)1(6)7/h6-8H,4-5H2,1-3H3;2*(H,6,7)
InChIKeyVZMXSDJHWUWACE-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.57
Rot. Bonds

About bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine

bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine (PubChem CID 22460992) has the molecular formula C11H18F6N2O4 and a molecular weight of 356.26 g/mol. Its IUPAC name is bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine.

Molecular Properties

Compound Namebis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
PubChem CID22460992
Molecular FormulaC11H18F6N2O4
Molecular Weight356.26 g/mol
Exact Mass356.12
IUPAC Namebis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
SMILESCC1CNCC(C)N1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.2C2HF3O2/c1-6-4-8-5-7(2)9(6)3;2*3-2(4,5)1(6)7/h6-8H,4-5H2,1-3H3;2*(H,6,7)
InChIKeyVZMXSDJHWUWACE-UHFFFAOYSA-N
XLogP1.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine?
The IUPAC name of bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine (CID 22460992) is bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine.
What is the SMILES notation for bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine?
The canonical SMILES for bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine is CC1CNCC(C)N1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine?
The InChIKey is VZMXSDJHWUWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2C2HF3O2/c1-6-4-8-5-7(2)9(6)3;2*3-2(4,5)1(6)7/h6-8H,4-5H2,1-3H3;2*(H,6,7).
What are the key properties of bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine?
bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine has a molecular weight of 356.26 g/mol, XLogP of 1.57, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine is sourced from PubChem (CID 22460992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).