2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone

C13H11FOS — CID 79803188

IUPAC2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
SMILESCc1cscc1C(=O)Cc1ccccc1F
InChIInChI=1S/C13H11FOS/c1-9-7-16-8-11(9)13(15)6-10-4-2-3-5-12(10)14/h2-5,7-8H,6H2,1H3
InChIKeyAECZQPMCDZHWSY-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone

2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone (PubChem CID 79803188) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
PubChem CID79803188
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
SMILESCc1cscc1C(=O)Cc1ccccc1F
InChIInChI=1S/C13H11FOS/c1-9-7-16-8-11(9)13(15)6-10-4-2-3-5-12(10)14/h2-5,7-8H,6H2,1H3
InChIKeyAECZQPMCDZHWSY-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 65308220
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392
2-(2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 65099356
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-(2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079151
2-(2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105079227
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone (CID 79803188) is 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone is Cc1cscc1C(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone?
The InChIKey is AECZQPMCDZHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-9-7-16-8-11(9)13(15)6-10-4-2-3-5-12(10)14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone?
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 79803188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).