1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine

C12H12ClFN2O — CID 22277269

IUPAC1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1cc2ccoc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H12ClFN2O/c13-10-9(14)7-8-1-6-17-12(8)11(10)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2
InChIKeyHREQRSQEWAHGDM-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.63
Rot. Bonds1

About 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine

1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine (PubChem CID 22277269) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine.

Molecular Properties

Compound Name1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
PubChem CID22277269
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1cc2ccoc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H12ClFN2O/c13-10-9(14)7-8-1-6-17-12(8)11(10)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2
InChIKeyHREQRSQEWAHGDM-UHFFFAOYSA-N
XLogP2.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The IUPAC name of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine (CID 22277269) is 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine.
What is the SMILES notation for 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The canonical SMILES for 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine is Fc1cc2ccoc2c(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The InChIKey is HREQRSQEWAHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-10-9(14)7-8-1-6-17-12(8)11(10)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2.
What are the key properties of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine has a molecular weight of 254.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine is sourced from PubChem (CID 22277269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).