Ethyl 2,4-dibromo-6-fluorophenylacetate

Name: Ethyl 2,4-dibromo-6-fluorophenylacetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₉Br₂FO₂ — CID 121228096

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-(2,4-dibromo-6-fluorophenyl)acetate

SMILESCCOC(=O)Cc1c(F)cc(Br)cc1Br

InChIInChI=1S/C10H9Br2FO2/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4H,2,5H2,1H3

InChIKeyXEWLUQDTXVIVNI-UHFFFAOYSA-N

MW339.99 g/mol

LogP3.46

Rot. Bonds3

About Ethyl 2,4-dibromo-6-fluorophenylacetate

Ethyl 2,4-dibromo-6-fluorophenylacetate (PubChem CID 121228096) has the molecular formula C₁₀H₉Br₂FO₂ and a molecular weight of 339.99 g/mol. Its IUPAC name is ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate.

Molecular Properties

Compound Name	Ethyl 2,4-dibromo-6-fluorophenylacetate
PubChem CID	121228096
Molecular Formula	C₁₀H₉Br₂FO₂
Molecular Weight	339.99 g/mol
Exact Mass	337.90
IUPAC Name	ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
SMILES	CCOC(=O)Cc1c(F)cc(Br)cc1Br
InChI	InChI=1S/C10H9Br2FO2/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4H,2,5H2,1H3
InChIKey	XEWLUQDTXVIVNI-UHFFFAOYSA-N
XLogP	3.46
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.99
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethyl 2,4-dibromo-6-fluorophenylacetate?

The IUPAC name of Ethyl 2,4-dibromo-6-fluorophenylacetate (CID 121228096) is ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate.

What is the SMILES notation for Ethyl 2,4-dibromo-6-fluorophenylacetate?

The canonical SMILES for Ethyl 2,4-dibromo-6-fluorophenylacetate is CCOC(=O)Cc1c(F)cc(Br)cc1Br.

What is the InChIKey of Ethyl 2,4-dibromo-6-fluorophenylacetate?

The InChIKey is XEWLUQDTXVIVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO2/c1-2-15-10(14)5-7-8(12)3-6(11)4-9(7)13/h3-4H,2,5H2,1H3.

What are the key properties of Ethyl 2,4-dibromo-6-fluorophenylacetate?

Ethyl 2,4-dibromo-6-fluorophenylacetate has a molecular weight of 339.99 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2,4-dibromo-6-fluorophenylacetate is sourced from PubChem (CID 121228096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121228096 — identifiers, structure, computed properties (public domain)

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