1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone

C10H9FOS2 — CID 146331001

IUPAC1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1sc2c(C)sc(C)c2c1F
InChIInChI=1S/C10H9FOS2/c1-4(12)9-8(11)7-5(2)13-6(3)10(7)14-9/h1-3H3
InChIKeyYYAHPNHFWHQBAU-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.92
Rot. Bonds1

About 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone

1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone (PubChem CID 146331001) has the molecular formula C10H9FOS2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone
PubChem CID146331001
Molecular FormulaC10H9FOS2
Molecular Weight228.31 g/mol
Exact Mass228.01
IUPAC Name1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone
SMILESCC(=O)c1sc2c(C)sc(C)c2c1F
InChIInChI=1S/C10H9FOS2/c1-4(12)9-8(11)7-5(2)13-6(3)10(7)14-9/h1-3H3
InChIKeyYYAHPNHFWHQBAU-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4,6-dimethylthieno[3,4-b]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

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone (CID 146331001) is 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone is CC(=O)c1sc2c(C)sc(C)c2c1F.
What is the InChIKey of 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone?
The InChIKey is YYAHPNHFWHQBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS2/c1-4(12)9-8(11)7-5(2)13-6(3)10(7)14-9/h1-3H3.
What are the key properties of 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone?
1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone has a molecular weight of 228.31 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4,6-dimethylthieno[3,4-b]thiophen-2-yl)ethanone is sourced from PubChem (CID 146331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).