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

C9H8BrFO3 — CID 94376434

IUPACmethyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)[C@H](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/t8-/m1/s1
InChIKeyHNTIHCGWHKBTMV-MRVPVSSYSA-N
MW263.06 g/mol
LogP1.79
Rot. Bonds2

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

methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate (PubChem CID 94376434) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
PubChem CID94376434
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Namemethyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)[C@H](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/t8-/m1/s1
InChIKeyHNTIHCGWHKBTMV-MRVPVSSYSA-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

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Related Compounds

methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
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 (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate (CID 94376434) is methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate is COC(=O)[C@H](O)c1cc(Br)ccc1F.
What is the InChIKey of methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
The InChIKey is HNTIHCGWHKBTMV-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate?
methyl (2R)-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 (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 94376434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).