1-(4,5-difluoro-1-benzofuran-2-yl)ethanone

C10H6F2O2 — CID 83410460

IUPAC1-(4,5-difluoro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(F)c(F)ccc2o1
InChIInChI=1S/C10H6F2O2/c1-5(13)9-4-6-8(14-9)3-2-7(11)10(6)12/h2-4H,1H3
InChIKeyFFHFWMVMTRPASG-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.91
Rot. Bonds1

About 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone

1-(4,5-difluoro-1-benzofuran-2-yl)ethanone (PubChem CID 83410460) has the molecular formula C10H6F2O2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-difluoro-1-benzofuran-2-yl)ethanone
PubChem CID83410460
Molecular FormulaC10H6F2O2
Molecular Weight196.15 g/mol
Exact Mass196.03
IUPAC Name1-(4,5-difluoro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(F)c(F)ccc2o1
InChIInChI=1S/C10H6F2O2/c1-5(13)9-4-6-8(14-9)3-2-7(11)10(6)12/h2-4H,1H3
InChIKeyFFHFWMVMTRPASG-UHFFFAOYSA-N
XLogP2.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
CID 82373023
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid
CID 83679343
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
1-(1-benzofuran-2-yl)ethanone
CID 15435
azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932104
1-[4-(3-hydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 142029220
1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
CID 82372665
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone (CID 83410460) is 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2c(F)c(F)ccc2o1.
What is the InChIKey of 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is FFHFWMVMTRPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O2/c1-5(13)9-4-6-8(14-9)3-2-7(11)10(6)12/h2-4H,1H3.
What are the key properties of 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone?
1-(4,5-difluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 196.15 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 83410460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).