1-(4-bromo-3-fluorothiophen-2-yl)ethanone

C6H4BrFOS — CID 169245551

IUPAC1-(4-bromo-3-fluorothiophen-2-yl)ethanone
SMILESCC(=O)c1scc(Br)c1F
InChIInChI=1S/C6H4BrFOS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3
InChIKeyPMNOIZAHOUASJZ-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.85
Rot. Bonds1

About 1-(4-bromo-3-fluorothiophen-2-yl)ethanone

1-(4-bromo-3-fluorothiophen-2-yl)ethanone (PubChem CID 169245551) has the molecular formula C6H4BrFOS and a molecular weight of 223.07 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-fluorothiophen-2-yl)ethanone
PubChem CID169245551
Molecular FormulaC6H4BrFOS
Molecular Weight223.07 g/mol
Exact Mass221.92
IUPAC Name1-(4-bromo-3-fluorothiophen-2-yl)ethanone
SMILESCC(=O)c1scc(Br)c1F
InChIInChI=1S/C6H4BrFOS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3
InChIKeyPMNOIZAHOUASJZ-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-3-fluorothiophen-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-(4-bromo-3-fluorothiophen-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-fluorothiophen-2-yl)ethanone (CID 169245551) is 1-(4-bromo-3-fluorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-fluorothiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-fluorothiophen-2-yl)ethanone is CC(=O)c1scc(Br)c1F.
What is the InChIKey of 1-(4-bromo-3-fluorothiophen-2-yl)ethanone?
The InChIKey is PMNOIZAHOUASJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFOS/c1-3(9)6-5(8)4(7)2-10-6/h2H,1H3.
What are the key properties of 1-(4-bromo-3-fluorothiophen-2-yl)ethanone?
1-(4-bromo-3-fluorothiophen-2-yl)ethanone has a molecular weight of 223.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorothiophen-2-yl)ethanone is sourced from PubChem (CID 169245551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).