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

C12H13Cl2FN2O — CID 22277268

IUPAC1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
SMILESCl.Fc1cc2ccoc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H12ClFN2O.ClH/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;1H
InChIKeyRQCAQMFIKOZPPN-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.06
Rot. Bonds1

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

1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride (PubChem CID 22277268) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
PubChem CID22277268
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride
SMILESCl.Fc1cc2ccoc2c(N2CCNCC2)c1Cl
InChIInChI=1S/C12H12ClFN2O.ClH/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;1H
InChIKeyRQCAQMFIKOZPPN-UHFFFAOYSA-N
XLogP3.06
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.06
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;hydrochloride?
The IUPAC name of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride (CID 22277268) is 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride is Cl.Fc1cc2ccoc2c(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
The InChIKey is RQCAQMFIKOZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O.ClH/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;1H.
What are the key properties of 1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride?
1-(6-chloro-5-fluoro-1-benzofuran-7-yl)piperazine;hydrochloride has a molecular weight of 291.15 g/mol, XLogP of 3.06, 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;hydrochloride is sourced from PubChem (CID 22277268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).