1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone

C₁₂H₈BrFOS — CID 61056475

About 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone

1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone (PubChem CID 61056475) has the molecular formula C₁₂H₈BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
• PubChem CID: 61056475
• Molecular Formula: C₁₂H₈BrFOS
• Molecular Weight: 299.16 g/mol
• Exact Mass: 297.95
• IUPAC Name: 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
• SMILES: O=C(Cc1cccs1)c1cc(F)ccc1Br
• InChI: InChI=1S/C12H8BrFOS/c13-11-4-3-8(14)6-10(11)12(15)7-9-2-1-5-16-9/h1-6H,7H2
• InChIKey: XZYHXPWWZNTWPQ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 17.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.16
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone?

The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone (CID 61056475) is 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone.

What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone?

The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1cc(F)ccc1Br.

What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone?

The InChIKey is XZYHXPWWZNTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c13-11-4-3-8(14)6-10(11)12(15)7-9-2-1-5-16-9/h1-6H,7H2.

What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone?

1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone has a molecular weight of 299.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 61056475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61056475 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.