ethyl 2-bromo-4-fluoro-3-methylbenzoate

C10H10BrFO2 — CID 131143922

IUPACethyl 2-bromo-4-fluoro-3-methylbenzoate
SMILESCCOC(=O)c1ccc(F)c(C)c1Br
InChIInChI=1S/C10H10BrFO2/c1-3-14-10(13)7-4-5-8(12)6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyAIENGIZSLXUCIO-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.07
Rot. Bonds2

About ethyl 2-bromo-4-fluoro-3-methylbenzoate

ethyl 2-bromo-4-fluoro-3-methylbenzoate (PubChem CID 131143922) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is ethyl 2-bromo-4-fluoro-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-4-fluoro-3-methylbenzoate
PubChem CID131143922
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Nameethyl 2-bromo-4-fluoro-3-methylbenzoate
SMILESCCOC(=O)c1ccc(F)c(C)c1Br
InChIInChI=1S/C10H10BrFO2/c1-3-14-10(13)7-4-5-8(12)6(2)9(7)11/h4-5H,3H2,1-2H3
InChIKeyAIENGIZSLXUCIO-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-amino-2-bromo-3-methylbenzoate
CID 171020944
ethyl 3-bromo-2-(bromomethyl)-4-fluorobenzoate
CID 131266769
ethyl 3-bromo-2-cyano-4-fluorobenzoate
CID 131412018
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 2-bromo-3-methylsulfanylbenzoate
CID 91880914
ethyl 2-bromo-6-fluoro-3-hydroxybenzoate
CID 130800843
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-fluoro-3-methylbenzoate?
The IUPAC name of ethyl 2-bromo-4-fluoro-3-methylbenzoate (CID 131143922) is ethyl 2-bromo-4-fluoro-3-methylbenzoate.
What is the SMILES notation for ethyl 2-bromo-4-fluoro-3-methylbenzoate?
The canonical SMILES for ethyl 2-bromo-4-fluoro-3-methylbenzoate is CCOC(=O)c1ccc(F)c(C)c1Br.
What is the InChIKey of ethyl 2-bromo-4-fluoro-3-methylbenzoate?
The InChIKey is AIENGIZSLXUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-3-14-10(13)7-4-5-8(12)6(2)9(7)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-bromo-4-fluoro-3-methylbenzoate?
ethyl 2-bromo-4-fluoro-3-methylbenzoate has a molecular weight of 261.09 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-fluoro-3-methylbenzoate is sourced from PubChem (CID 131143922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).