1-(6-fluoro-1-benzofuran-5-yl)ethanone

C10H7FO2 — CID 117277685

IUPAC1-(6-fluoro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2ccoc2cc1F
InChIInChI=1S/C10H7FO2/c1-6(12)8-4-7-2-3-13-10(7)5-9(8)11/h2-5H,1H3
InChIKeyCTHRONRLIXTDRI-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.77
Rot. Bonds1

About 1-(6-fluoro-1-benzofuran-5-yl)ethanone

1-(6-fluoro-1-benzofuran-5-yl)ethanone (PubChem CID 117277685) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-5-yl)ethanone
PubChem CID117277685
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name1-(6-fluoro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2ccoc2cc1F
InChIInChI=1S/C10H7FO2/c1-6(12)8-4-7-2-3-13-10(7)5-9(8)11/h2-5H,1H3
InChIKeyCTHRONRLIXTDRI-UHFFFAOYSA-N
XLogP2.77
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-1-benzofuran-5-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

2-(6-fluoro-1-benzofuran-5-yl)-2-oxoacetic acid
CID 117297031
6-hydroxy-1-benzofuran-5-carboxylic acid
CID 83681607
1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117339986
6-bromo-5-fluoro-1-benzofuran;(3-bromo-4-fluorophenyl) acetate
CID 70102394
1-(6-fluoro-1-benzofuran-5-yl)cyclopropan-1-ol
CID 117282835
5-fluoro-1-benzofuran-6-carbaldehyde
CID 19611664
6-fluoro-1-benzofuran-5-carbonitrile
CID 117276102
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
5-(2,2-dihydroxypropanoyl)-1-benzofuran-6-carbaldehyde
CID 143205288
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-(6-fluoro-1-methylindazol-5-yl)ethanone
CID 83877961

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(6-fluoro-1-benzofuran-5-yl)ethanone (CID 117277685) is 1-(6-fluoro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-5-yl)ethanone is CC(=O)c1cc2ccoc2cc1F.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-5-yl)ethanone?
The InChIKey is CTHRONRLIXTDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c1-6(12)8-4-7-2-3-13-10(7)5-9(8)11/h2-5H,1H3.
What are the key properties of 1-(6-fluoro-1-benzofuran-5-yl)ethanone?
1-(6-fluoro-1-benzofuran-5-yl)ethanone has a molecular weight of 178.16 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 117277685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).