methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate

C9H8BrFO3 — CID 62213936

IUPACmethyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFO3/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8,12H,1H3
InChIKeyHNTIHCGWHKBTMV-UHFFFAOYSA-N
MW263.06 g/mol
LogP1.79
Rot. Bonds2

About methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate

methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate (PubChem CID 62213936) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
PubChem CID62213936
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Namemethyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C9H8BrFO3/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8,12H,1H3
InChIKeyHNTIHCGWHKBTMV-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
methyl 2-(5-bromo-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117463058
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
CID 22590188
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
methyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117443512
methyl (3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171246499
methyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171239785

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate (CID 62213936) is methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Br)ccc1F.
What is the InChIKey of methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The InChIKey is HNTIHCGWHKBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8,12H,1H3.
What are the key properties of methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate has a molecular weight of 263.06 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 62213936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).