1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone

C10H11FOS — CID 133055260

IUPAC1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone
SMILESCC(=O)c1sc(F)c2c1CCCC2
InChIInChI=1S/C10H11FOS/c1-6(12)9-7-4-2-3-5-8(7)10(11)13-9/h2-5H2,1H3
InChIKeyHCCLGCJKYBFTJL-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.97
Rot. Bonds1

About 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone

1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone (PubChem CID 133055260) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone
PubChem CID133055260
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone
SMILESCC(=O)c1sc(F)c2c1CCCC2
InChIInChI=1S/C10H11FOS/c1-6(12)9-7-4-2-3-5-8(7)10(11)13-9/h2-5H2,1H3
InChIKeyHCCLGCJKYBFTJL-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-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-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone (CID 133055260) is 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone is CC(=O)c1sc(F)c2c1CCCC2.
What is the InChIKey of 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone?
The InChIKey is HCCLGCJKYBFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-6(12)9-7-4-2-3-5-8(7)10(11)13-9/h2-5H2,1H3.
What are the key properties of 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone?
1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)ethanone is sourced from PubChem (CID 133055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).