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

C10H9Br2FO2 — CID 121228096

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

ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate (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 Nameethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
PubChem CID121228096
Molecular FormulaC10H9Br2FO2
Molecular Weight339.99 g/mol
Exact Mass337.90
IUPAC Nameethyl 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
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.99
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(4-bromo-2-fluoro-6-nitrophenyl)acetate
CID 134633256
ethyl 2-[2,4-dibromo-6-(chloromethyl)phenyl]acetate
CID 171005972
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(4-amino-2-bromo-6-methylphenyl)acetate
CID 171020589
ethyl 2-[4-(chloromethyl)-2,6-difluorophenyl]acetate
CID 171020029
ethyl 2-[4-bromo-2-(bromomethyl)-6-methylphenyl]acetate
CID 171006790
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate (CID 121228096) is ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate is CCOC(=O)Cc1c(F)cc(Br)cc1Br.
What is the InChIKey of ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate?
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-(2,4-dibromo-6-fluorophenyl)acetate?
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate 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-(2,4-dibromo-6-fluorophenyl)acetate is sourced from PubChem (CID 121228096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).