2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone

C₁₅H₁₁BrClFO₂ — CID 114968478

About 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (PubChem CID 114968478) has the molecular formula C₁₅H₁₁BrClFO₂ and a molecular weight of 357.61 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
• PubChem CID: 114968478
• Molecular Formula: C₁₅H₁₁BrClFO₂
• Molecular Weight: 357.61 g/mol
• Exact Mass: 355.96
• IUPAC Name: 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
• SMILES: COc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1F
• InChI: InChI=1S/C15H11BrClFO2/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8H,6H2,1H3
• InChIKey: SLMDKSFPBQHPTD-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.61
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?

The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (CID 114968478) is 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.

What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?

The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1F.

What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?

The InChIKey is SLMDKSFPBQHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8H,6H2,1H3.

What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone has a molecular weight of 357.61 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114968478 — identifiers, structure, computed properties (public domain)

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