4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione

C10H8ClFN2O2 — CID 107531477

IUPAC4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2cc(F)ccc2Cl)CC(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-6(12)3-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyDMTFOMRHKRRLOA-UHFFFAOYSA-N
MW242.64 g/mol
LogP0.94
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione

4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione (PubChem CID 107531477) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
PubChem CID107531477
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2cc(F)ccc2Cl)CC(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-7-2-1-6(12)3-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyDMTFOMRHKRRLOA-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione (CID 107531477) is 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione is O=C1CN(c2cc(F)ccc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione?
The InChIKey is DMTFOMRHKRRLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-7-2-1-6(12)3-8(7)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16).
What are the key properties of 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione?
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione has a molecular weight of 242.64 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 107531477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).