methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate

C10H10BrFO2 — CID 131455080

IUPACmethyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)Cc1c(F)ccc(Br)c1C
InChIInChI=1S/C10H10BrFO2/c1-6-7(5-10(13)14-2)9(12)4-3-8(6)11/h3-4H,5H2,1-2H3
InChIKeyDSDBGSUFMJKYBK-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.61
Rot. Bonds2

About methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate

methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate (PubChem CID 131455080) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
PubChem CID131455080
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Namemethyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
SMILESCOC(=O)Cc1c(F)ccc(Br)c1C
InChIInChI=1S/C10H10BrFO2/c1-6-7(5-10(13)14-2)9(12)4-3-8(6)11/h3-4H,5H2,1-2H3
InChIKeyDSDBGSUFMJKYBK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(3-bromo-2,6-dimethylphenyl)acetate
CID 67498507
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-(3-amino-4,6-dibromo-2-methylphenyl)acetate
CID 134407506
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(2-bromo-6-cyano-3-fluorophenyl)acetate
CID 131256039
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate (CID 131455080) is methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate is COC(=O)Cc1c(F)ccc(Br)c1C.
What is the InChIKey of methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate?
The InChIKey is DSDBGSUFMJKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6-7(5-10(13)14-2)9(12)4-3-8(6)11/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate?
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate has a molecular weight of 261.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate is sourced from PubChem (CID 131455080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).