1-(4-fluorophenyl)piperazine-2,5-dione

C10H9FN2O2 — CID 64955202

IUPAC1-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(F)cc2)C(=O)CN1
InChIInChI=1S/C10H9FN2O2/c11-7-1-3-8(4-2-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6H2,(H,12,14)
InChIKeyXABCKZIVCCYHKW-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.29
Rot. Bonds1

About 1-(4-fluorophenyl)piperazine-2,5-dione

1-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 64955202) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID64955202
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(F)cc2)C(=O)CN1
InChIInChI=1S/C10H9FN2O2/c11-7-1-3-8(4-2-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6H2,(H,12,14)
InChIKeyXABCKZIVCCYHKW-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)piperazine-2,5-dione (CID 64955202) is 1-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)piperazine-2,5-dione is O=C1CN(c2ccc(F)cc2)C(=O)CN1.
What is the InChIKey of 1-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is XABCKZIVCCYHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-1-3-8(4-2-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6H2,(H,12,14).
What are the key properties of 1-(4-fluorophenyl)piperazine-2,5-dione?
1-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 208.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64955202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).