1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone

C13H10F2OS — CID 22911985

IUPAC1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H10F2OS/c1-8-4-10(17-7-8)6-13(16)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3
InChIKeyMYYXVXYQVBQGOC-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone

1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone (PubChem CID 22911985) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone
PubChem CID22911985
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone
SMILESCc1csc(CC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H10F2OS/c1-8-4-10(17-7-8)6-13(16)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3
InChIKeyMYYXVXYQVBQGOC-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726367
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone (CID 22911985) is 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone is Cc1csc(CC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone?
The InChIKey is MYYXVXYQVBQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c1-8-4-10(17-7-8)6-13(16)11-3-2-9(14)5-12(11)15/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone?
1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone has a molecular weight of 252.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 22911985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).