1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone

C13H11FOS — CID 79050472

IUPAC1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C13H11FOS/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyJMDKWCOVUVWTFF-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.07
Rot. Bonds2

About 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone

1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone (PubChem CID 79050472) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
PubChem CID79050472
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C13H11FOS/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyJMDKWCOVUVWTFF-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-(3-fluoro-5-methylphenyl)thiophen-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

1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethanone
CID 13401836
1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanone
CID 43154087
3-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]prop-2-enoic acid
CID 79050471
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812
1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 43154168
1-[5-(4-bromo-3-chlorophenyl)thiophen-2-yl]ethanone
CID 107615063
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
CID 81259902
1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone
CID 152953075
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
CID 43363436
5-(3-fluoro-5-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 79989747

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone (CID 79050472) is 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(C)cc(F)c2)s1.
What is the InChIKey of 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone?
The InChIKey is JMDKWCOVUVWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7H,1-2H3.
What are the key properties of 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone?
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone has a molecular weight of 234.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 79050472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).