1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone

C11H8F2O2 — CID 43155094

IUPAC1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(F)cc(F)cc2c1C
InChIInChI=1S/C11H8F2O2/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4H,1-2H3
InChIKeyIZIYCIALVUSVEL-UHFFFAOYSA-N
MW210.18 g/mol
LogP3.22
Rot. Bonds1

About 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone

1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 43155094) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID43155094
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(F)cc(F)cc2c1C
InChIInChI=1S/C11H8F2O2/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4H,1-2H3
InChIKeyIZIYCIALVUSVEL-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5,7-difluoro-3-methyl-1-benzofuran-2-carboxylate
CID 166532199
cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 66777401
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
N-[1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropylidene]hydroxylamine
CID 171578990
1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099
3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide
CID 23148988
3-ethyl-5,7-difluoro-1-benzofuran-2-carboxamide
CID 143317392
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethanol
CID 166532490
7-fluoro-3-methyl-5-(pyrrolidin-1-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 82187612
7-fluoro-3-methyl-5-(piperidin-1-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 82187611
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
7-fluoro-3-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 82187610

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone (CID 43155094) is 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2c(F)cc(F)cc2c1C.
What is the InChIKey of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is IZIYCIALVUSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c1-5-8-3-7(12)4-9(13)11(8)15-10(5)6(2)14/h3-4H,1-2H3.
What are the key properties of 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone?
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 210.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 43155094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).