1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid

C9H15F3N2O3 — CID 134584547

IUPAC1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2COC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;3-2(4,5)1(6)7/h7-8H,1-6H2;(H,6,7)
InChIKeyXTYGJCLLZZAOFX-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.08
Rot. Bonds1

About 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid

1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 134584547) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID134584547
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid
SMILESC1CN(C2COC2)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;3-2(4,5)1(6)7/h7-8H,1-6H2;(H,6,7)
InChIKeyXTYGJCLLZZAOFX-UHFFFAOYSA-N
XLogP-0.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid (CID 134584547) is 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid is C1CN(C2COC2)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is XTYGJCLLZZAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c1-3-9(4-2-8-1)7-5-10-6-7;3-2(4,5)1(6)7/h7-8H,1-6H2;(H,6,7).
What are the key properties of 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid?
1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134584547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).