1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone

C10H7FO3 — CID 82372665

IUPAC1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(F)cc2c1O
InChIInChI=1S/C10H7FO3/c1-5(12)10-9(13)7-4-6(11)2-3-8(7)14-10/h2-4,13H,1H3
InChIKeyNVYGBYXXJJQUQQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.48
Rot. Bonds1

About 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone

1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone (PubChem CID 82372665) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
PubChem CID82372665
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(F)cc2c1O
InChIInChI=1S/C10H7FO3/c1-5(12)10-9(13)7-4-6(11)2-3-8(7)14-10/h2-4,13H,1H3
InChIKeyNVYGBYXXJJQUQQ-UHFFFAOYSA-N
XLogP2.48
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
CID 90143254
4-acetyl-6-fluorochromen-2-one
CID 53386591
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
6-fluoro-4-hydroxy-3-(2-methylpropanoyl)chromen-2-one
CID 153315855
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
CID 143831160
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
3-(5-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910707

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone (CID 82372665) is 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2ccc(F)cc2c1O.
What is the InChIKey of 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone?
The InChIKey is NVYGBYXXJJQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c1-5(12)10-9(13)7-4-6(11)2-3-8(7)14-10/h2-4,13H,1H3.
What are the key properties of 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone?
1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone has a molecular weight of 194.16 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 82372665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).