1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone

C11H11F4N3O — CID 23402901

IUPAC1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H11F4N3O/c1-6(19)17-2-4-18(5-3-17)9-7(12)10(14)16-11(15)8(9)13/h2-5H2,1H3
InChIKeyHASUSASUVCJYDZ-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.31
Rot. Bonds1

About 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone

1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 23402901) has the molecular formula C11H11F4N3O and a molecular weight of 277.22 g/mol. Its IUPAC name is 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
PubChem CID23402901
Molecular FormulaC11H11F4N3O
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Name1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H11F4N3O/c1-6(19)17-2-4-18(5-3-17)9-7(12)10(14)16-11(15)8(9)13/h2-5H2,1H3
InChIKeyHASUSASUVCJYDZ-UHFFFAOYSA-N
XLogP1.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone (CID 23402901) is 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is HASUSASUVCJYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O/c1-6(19)17-2-4-18(5-3-17)9-7(12)10(14)16-11(15)8(9)13/h2-5H2,1H3.
What are the key properties of 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 277.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 23402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).