1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone

C13H11FOS — CID 62813066

IUPAC1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C13H11FOS/c1-8-7-10(3-4-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyYTXUMOFGQHXJAY-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.07
Rot. Bonds2

About 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone

1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone (PubChem CID 62813066) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
PubChem CID62813066
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)c(C)c2)s1
InChIInChI=1S/C13H11FOS/c1-8-7-10(3-4-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3
InChIKeyYTXUMOFGQHXJAY-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone (CID 62813066) is 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(F)c(C)c2)s1.
What is the InChIKey of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone?
The InChIKey is YTXUMOFGQHXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-8-7-10(3-4-11(8)14)13-6-5-12(16-13)9(2)15/h3-7H,1-2H3.
What are the key properties of 1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone?
1-[5-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 62813066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).