ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate

C10H9Br2FO2 — CID 166470674

IUPACethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)C(Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9Br2FO2/c1-2-15-10(14)9(12)6-3-4-7(11)8(13)5-6/h3-5,9H,2H2,1H3
InChIKeyAOEZNJZLUASVNQ-UHFFFAOYSA-N
MW339.99 g/mol
LogP3.59
Rot. Bonds3

About ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate

ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate (PubChem CID 166470674) has the molecular formula C10H9Br2FO2 and a molecular weight of 339.99 g/mol. Its IUPAC name is ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
PubChem CID166470674
Molecular FormulaC10H9Br2FO2
Molecular Weight339.99 g/mol
Exact Mass337.90
IUPAC Nameethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
SMILESCCOC(=O)C(Br)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9Br2FO2/c1-2-15-10(14)9(12)6-3-4-7(11)8(13)5-6/h3-5,9H,2H2,1H3
InChIKeyAOEZNJZLUASVNQ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-bromo-3-fluorophenyl)-2-methylbutanoate
CID 67635327
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248
ethyl 4-(4-bromo-3-fluorophenyl)-3,4-dihydroxybutanoate
CID 171898467
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
ethyl (3R)-3-(4-bromo-3-fluorophenyl)-3-[(3-ethoxy-3-oxopropanoyl)amino]propanoate
CID 178130021
ethyl (2S)-2-(4-aminophenyl)-2-bromoacetate
CID 97296459
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
ethyl 2-(4-bromo-3-fluoroanilino)butanoate
CID 65437331
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
ethyl 2-bromo-2-[4-(bromomethyl)phenyl]acetate
CID 171340266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate (CID 166470674) is ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate is CCOC(=O)C(Br)c1ccc(Br)c(F)c1.
What is the InChIKey of ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate?
The InChIKey is AOEZNJZLUASVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO2/c1-2-15-10(14)9(12)6-3-4-7(11)8(13)5-6/h3-5,9H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate?
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate has a molecular weight of 339.99 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate is sourced from PubChem (CID 166470674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).