ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate

C11H9BrFNO2 — CID 134652489

IUPACethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
SMILESCCOC(=O)Cc1c(F)ccc(C#N)c1Br
InChIInChI=1S/C11H9BrFNO2/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4H,2,5H2,1H3
InChIKeyRHJAWGWSVFSBOT-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate

ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate (PubChem CID 134652489) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
PubChem CID134652489
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Nameethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
SMILESCCOC(=O)Cc1c(F)ccc(C#N)c1Br
InChIInChI=1S/C11H9BrFNO2/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4H,2,5H2,1H3
InChIKeyRHJAWGWSVFSBOT-UHFFFAOYSA-N
XLogP2.57
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromo-3-cyano-6-formylphenyl)acetate
CID 146675915
ethyl 2-(2-bromo-6-cyano-3-ethylphenyl)acetate
CID 134652473
ethyl 2-[3-bromo-2-(chloromethyl)-4-cyanophenyl]acetate
CID 134652438
ethyl 2-(2-bromo-6-cyano-3-iodophenyl)acetate
CID 134638498
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
CID 134653675
ethyl 2-[2-bromo-4-cyano-3-(hydroxymethyl)phenyl]acetate
CID 134638788
ethyl 2-(bromomethyl)-6-cyano-3-fluorobenzoate
CID 131603060
methyl 2-(2-bromo-6-cyano-3-fluorophenyl)acetate
CID 131256039
ethyl 2-(2-cyano-3-fluoro-6-methylphenyl)acetate
CID 134615064
ethyl 2-(2-cyano-6-fluoro-4-methylphenyl)acetate
CID 134632248
ethyl 2-[3-(bromomethyl)-2-cyano-4-fluorophenyl]acetate
CID 134652808
ethyl 2-(2-cyano-6-fluoro-3-nitrophenyl)acetate
CID 134654345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate (CID 134652489) is ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate is CCOC(=O)Cc1c(F)ccc(C#N)c1Br.
What is the InChIKey of ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate?
The InChIKey is RHJAWGWSVFSBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-2-16-10(15)5-8-9(13)4-3-7(6-14)11(8)12/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate?
ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate has a molecular weight of 286.10 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate is sourced from PubChem (CID 134652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).