1-(4-chloro-2-fluorophenoxy)piperazine

C10H12ClFN2O — CID 151380677

IUPAC1-(4-chloro-2-fluorophenoxy)piperazine
SMILESFc1cc(Cl)ccc1ON1CCNCC1
InChIInChI=1S/C10H12ClFN2O/c11-8-1-2-10(9(12)7-8)15-14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyOSIRTSYTKAPSGX-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.68
Rot. Bonds2

About 1-(4-chloro-2-fluorophenoxy)piperazine

1-(4-chloro-2-fluorophenoxy)piperazine (PubChem CID 151380677) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenoxy)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenoxy)piperazine
PubChem CID151380677
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name1-(4-chloro-2-fluorophenoxy)piperazine
SMILESFc1cc(Cl)ccc1ON1CCNCC1
InChIInChI=1S/C10H12ClFN2O/c11-8-1-2-10(9(12)7-8)15-14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyOSIRTSYTKAPSGX-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenoxy)piperazine?
The IUPAC name of 1-(4-chloro-2-fluorophenoxy)piperazine (CID 151380677) is 1-(4-chloro-2-fluorophenoxy)piperazine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenoxy)piperazine?
The canonical SMILES for 1-(4-chloro-2-fluorophenoxy)piperazine is Fc1cc(Cl)ccc1ON1CCNCC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenoxy)piperazine?
The InChIKey is OSIRTSYTKAPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-1-2-10(9(12)7-8)15-14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(4-chloro-2-fluorophenoxy)piperazine?
1-(4-chloro-2-fluorophenoxy)piperazine has a molecular weight of 230.67 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenoxy)piperazine is sourced from PubChem (CID 151380677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).