2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone

C13H10F2O2S — CID 113223306

IUPAC2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2c(F)cccc2F)s1
InChIInChI=1S/C13H10F2O2S/c1-8-5-6-12(18-8)11(16)7-17-13-9(14)3-2-4-10(13)15/h2-6H,7H2,1H3
InChIKeyQDKINXUNRVBZKJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone

2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 113223306) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID113223306
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)COc2c(F)cccc2F)s1
InChIInChI=1S/C13H10F2O2S/c1-8-5-6-12(18-8)11(16)7-17-13-9(14)3-2-4-10(13)15/h2-6H,7H2,1H3
InChIKeyQDKINXUNRVBZKJ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-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

2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8506393
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371
2-(2,6-dibromo-4-nitrophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 62033264
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 43222115
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone (CID 113223306) is 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)COc2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is QDKINXUNRVBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c1-8-5-6-12(18-8)11(16)7-17-13-9(14)3-2-4-10(13)15/h2-6H,7H2,1H3.
What are the key properties of 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone?
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 268.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 113223306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).