1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one

C11H8ClFO2 — CID 22144759

IUPAC1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one
SMILESCC(=O)Cc1cc(F)c(Cl)c2ccoc12
InChIInChI=1S/C11H8ClFO2/c1-6(14)4-7-5-9(13)10(12)8-2-3-15-11(7)8/h2-3,5H,4H2,1H3
InChIKeyWLXJFWSLIUCSQP-UHFFFAOYSA-N
MW226.63 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one

1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one (PubChem CID 22144759) has the molecular formula C11H8ClFO2 and a molecular weight of 226.63 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one
PubChem CID22144759
Molecular FormulaC11H8ClFO2
Molecular Weight226.63 g/mol
Exact Mass226.02
IUPAC Name1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one
SMILESCC(=O)Cc1cc(F)c(Cl)c2ccoc12
InChIInChI=1S/C11H8ClFO2/c1-6(14)4-7-5-9(13)10(12)8-2-3-15-11(7)8/h2-3,5H,4H2,1H3
InChIKeyWLXJFWSLIUCSQP-UHFFFAOYSA-N
XLogP3.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one (CID 22144759) is 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one is CC(=O)Cc1cc(F)c(Cl)c2ccoc12.
What is the InChIKey of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one?
The InChIKey is WLXJFWSLIUCSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO2/c1-6(14)4-7-5-9(13)10(12)8-2-3-15-11(7)8/h2-3,5H,4H2,1H3.
What are the key properties of 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one?
1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one has a molecular weight of 226.63 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-1-benzofuran-7-yl)propan-2-one is sourced from PubChem (CID 22144759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).