4-(4-chloro-2-fluorophenyl)piperazin-2-one

C10H10ClFN2O — CID 156503488

IUPAC4-(4-chloro-2-fluorophenyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C10H10ClFN2O/c11-7-1-2-9(8(12)5-7)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyYUETWKSVKUZOJF-UHFFFAOYSA-N
MW228.65 g/mol
LogP1.42
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)piperazin-2-one

4-(4-chloro-2-fluorophenyl)piperazin-2-one (PubChem CID 156503488) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)piperazin-2-one
PubChem CID156503488
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name4-(4-chloro-2-fluorophenyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2F)CCN1
InChIInChI=1S/C10H10ClFN2O/c11-7-1-2-9(8(12)5-7)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyYUETWKSVKUZOJF-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)piperazin-2-one (CID 156503488) is 4-(4-chloro-2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)piperazin-2-one is O=C1CN(c2ccc(Cl)cc2F)CCN1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)piperazin-2-one?
The InChIKey is YUETWKSVKUZOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-7-1-2-9(8(12)5-7)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15).
What are the key properties of 4-(4-chloro-2-fluorophenyl)piperazin-2-one?
4-(4-chloro-2-fluorophenyl)piperazin-2-one has a molecular weight of 228.65 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 156503488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).