1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one

C12H11FO2 — CID 22144842

IUPAC1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one
SMILESCC(=O)Cc1ccc(F)c2c(C)coc12
InChIInChI=1S/C12H11FO2/c1-7-6-15-12-9(5-8(2)14)3-4-10(13)11(7)12/h3-4,6H,5H2,1-2H3
InChIKeyFPJDLPQZRUEABM-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.01
Rot. Bonds2

About 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one

1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one (PubChem CID 22144842) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one
PubChem CID22144842
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one
SMILESCC(=O)Cc1ccc(F)c2c(C)coc12
InChIInChI=1S/C12H11FO2/c1-7-6-15-12-9(5-8(2)14)3-4-10(13)11(7)12/h3-4,6H,5H2,1-2H3
InChIKeyFPJDLPQZRUEABM-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one?
The IUPAC name of 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one (CID 22144842) is 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one is CC(=O)Cc1ccc(F)c2c(C)coc12.
What is the InChIKey of 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one?
The InChIKey is FPJDLPQZRUEABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-7-6-15-12-9(5-8(2)14)3-4-10(13)11(7)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one?
1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one has a molecular weight of 206.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methyl-1-benzofuran-7-yl)propan-2-one is sourced from PubChem (CID 22144842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).