methyl 2-(3-bromo-2,4-difluorophenyl)acetate

C9H7BrF2O2 — CID 131171218

IUPACmethyl 2-(3-bromo-2,4-difluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(F)c(Br)c1F
InChIInChI=1S/C9H7BrF2O2/c1-14-7(13)4-5-2-3-6(11)8(10)9(5)12/h2-3H,4H2,1H3
InChIKeyBXOVYSVUVWWJCQ-UHFFFAOYSA-N
MW265.05 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(3-bromo-2,4-difluorophenyl)acetate

methyl 2-(3-bromo-2,4-difluorophenyl)acetate (PubChem CID 131171218) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is methyl 2-(3-bromo-2,4-difluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-2,4-difluorophenyl)acetate
PubChem CID131171218
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Namemethyl 2-(3-bromo-2,4-difluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(F)c(Br)c1F
InChIInChI=1S/C9H7BrF2O2/c1-14-7(13)4-5-2-3-6(11)8(10)9(5)12/h2-3H,4H2,1H3
InChIKeyBXOVYSVUVWWJCQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-bromo-2-fluoro-4-methylphenyl)acetate
CID 171015076
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
methyl 2-(2-bromo-6-cyano-3-fluorophenyl)acetate
CID 131256039
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
methyl 2-(3-bromo-2-fluoro-4-pyridinyl)acetate
CID 130836925
methyl 2-(4-bromo-2-cyclopropyl-3-fluorophenyl)acetate
CID 167079672
methyl 2-[2-bromo-3-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171010904
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
CID 130663727

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-2,4-difluorophenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-2,4-difluorophenyl)acetate (CID 131171218) is methyl 2-(3-bromo-2,4-difluorophenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-2,4-difluorophenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-2,4-difluorophenyl)acetate is COC(=O)Cc1ccc(F)c(Br)c1F.
What is the InChIKey of methyl 2-(3-bromo-2,4-difluorophenyl)acetate?
The InChIKey is BXOVYSVUVWWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c1-14-7(13)4-5-2-3-6(11)8(10)9(5)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(3-bromo-2,4-difluorophenyl)acetate?
methyl 2-(3-bromo-2,4-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-(3-bromo-2,4-difluorophenyl)acetate is sourced from PubChem (CID 131171218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).