ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate

C10H9Br2FO2 — CID 121228103

IUPACethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)cc(Br)c1F
InChIInChI=1S/C10H9Br2FO2/c1-2-15-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4H2,1H3
InChIKeyRGMJEBPCMNLVLS-UHFFFAOYSA-N
MW339.99 g/mol
LogP3.46
Rot. Bonds3

About ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate

ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate (PubChem CID 121228103) has the molecular formula C10H9Br2FO2 and a molecular weight of 339.99 g/mol. Its IUPAC name is ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
PubChem CID121228103
Molecular FormulaC10H9Br2FO2
Molecular Weight339.99 g/mol
Exact Mass337.90
IUPAC Nameethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(Br)cc(Br)c1F
InChIInChI=1S/C10H9Br2FO2/c1-2-15-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4H2,1H3
InChIKeyRGMJEBPCMNLVLS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-[2,4-dibromo-6-(chloromethyl)phenyl]acetate
CID 171005972
ethyl 2-(3-amino-5-bromo-4-fluorophenyl)acetate
CID 171019379
ethyl 2-[3-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017762
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-(5-bromo-7-fluoro-1H-indol-3-yl)acetate
CID 137332496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate (CID 121228103) is ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate is CCOC(=O)Cc1cc(Br)cc(Br)c1F.
What is the InChIKey of ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate?
The InChIKey is RGMJEBPCMNLVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO2/c1-2-15-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate?
ethyl 2-(3,5-dibromo-2-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-(3,5-dibromo-2-fluorophenyl)acetate is sourced from PubChem (CID 121228103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).