methyl 2-(2-bromo-4,6-difluorophenyl)acetate

C9H7BrF2O2 — CID 130729909

IUPACmethyl 2-(2-bromo-4,6-difluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2O2/c1-14-9(13)4-6-7(10)2-5(11)3-8(6)12/h2-3H,4H2,1H3
InChIKeyIYXFJAKGXBCYGK-UHFFFAOYSA-N
MW265.05 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(2-bromo-4,6-difluorophenyl)acetate

methyl 2-(2-bromo-4,6-difluorophenyl)acetate (PubChem CID 130729909) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is methyl 2-(2-bromo-4,6-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-4,6-difluorophenyl)acetate
PubChem CID130729909
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Namemethyl 2-(2-bromo-4,6-difluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H7BrF2O2/c1-14-9(13)4-6-7(10)2-5(11)3-8(6)12/h2-3H,4H2,1H3
InChIKeyIYXFJAKGXBCYGK-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
2-bromo-1-(2-bromo-4,6-difluorophenyl)-4-methylpentan-3-one
CID 62395712
methyl 2-[4-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134673667
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-(2-bromo-6-ethyl-4-methylphenyl)acetate
CID 58892842
methyl 2-(2-bromo-4-cyano-5-fluorophenyl)acetate
CID 131256038
ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
ethyl 2-bromo-3-(2-bromo-4,6-difluorophenyl)propanoate
CID 83197948

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-4,6-difluorophenyl)acetate?
The IUPAC name of methyl 2-(2-bromo-4,6-difluorophenyl)acetate (CID 130729909) is methyl 2-(2-bromo-4,6-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-bromo-4,6-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-bromo-4,6-difluorophenyl)acetate is COC(=O)Cc1c(F)cc(F)cc1Br.
What is the InChIKey of methyl 2-(2-bromo-4,6-difluorophenyl)acetate?
The InChIKey is IYXFJAKGXBCYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c1-14-9(13)4-6-7(10)2-5(11)3-8(6)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-bromo-4,6-difluorophenyl)acetate?
methyl 2-(2-bromo-4,6-difluorophenyl)acetate has a molecular weight of 265.05 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-4,6-difluorophenyl)acetate is sourced from PubChem (CID 130729909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).