1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine

C12H12ClFN2O — CID 22277370

IUPAC1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1cc(N2CCNCC2)c2occc2c1Cl
InChIInChI=1S/C12H12ClFN2O/c13-11-8-1-6-17-12(8)10(7-9(11)14)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2
InChIKeyXFLQAMPAXIVZOD-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.63
Rot. Bonds1

About 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine

1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine (PubChem CID 22277370) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
PubChem CID22277370
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine
SMILESFc1cc(N2CCNCC2)c2occc2c1Cl
InChIInChI=1S/C12H12ClFN2O/c13-11-8-1-6-17-12(8)10(7-9(11)14)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2
InChIKeyXFLQAMPAXIVZOD-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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Related Compounds

CID 9999042
CID 9999042
CID 14198563
CID 14198563
CID 14960345
CID 14960345
CID 9975506
CID 9975506
CID 14960340
CID 14960340
CID 45261095
CID 45261095
CID 45261116
CID 45261116
CID 45261167
CID 45261167
CID 10059313
CID 10059313
CID 10316830
CID 10316830
CID 10465458
CID 10465458
CID 14960342
CID 14960342

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The IUPAC name of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine (CID 22277370) is 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine.
What is the SMILES notation for 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The canonical SMILES for 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine is Fc1cc(N2CCNCC2)c2occc2c1Cl.
What is the InChIKey of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
The InChIKey is XFLQAMPAXIVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-11-8-1-6-17-12(8)10(7-9(11)14)16-4-2-15-3-5-16/h1,6-7,15H,2-5H2.
What are the key properties of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine?
1-(4-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-(4-chloro-5-fluoro-1-benzofuran-7-yl)piperazine is sourced from PubChem (CID 22277370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).