1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)

C12H18F6N2O4 — CID 87187795

IUPAC1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;2*3-2(4,5)1(6)7/h8-9H,1-7H2;2*(H,6,7)
InChIKeyWTBFWIGFJSKJAF-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.71
Rot. Bonds1

About 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)

1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87187795) has the molecular formula C12H18F6N2O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87187795
Molecular FormulaC12H18F6N2O4
Molecular Weight368.27 g/mol
Exact Mass368.12
IUPAC Name1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;2*3-2(4,5)1(6)7/h8-9H,1-7H2;2*(H,6,7)
InChIKeyWTBFWIGFJSKJAF-UHFFFAOYSA-N
XLogP1.71
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid) (CID 87187795) is 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid) is C1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WTBFWIGFJSKJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;2*3-2(4,5)1(6)7/h8-9H,1-7H2;2*(H,6,7).
What are the key properties of 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid)?
1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 368.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87187795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).