ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate

C11H10BrF3O3 — CID 117108846

IUPACethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3O3/c1-2-18-10(17)9(16)7-4-3-6(12)5-8(7)11(13,14)15/h3-5,9,16H,2H2,1H3
InChIKeyWGQALIXWKKPCIY-UHFFFAOYSA-N
MW327.10 g/mol
LogP3.06
Rot. Bonds3

About ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate

ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117108846) has the molecular formula C11H10BrF3O3 and a molecular weight of 327.10 g/mol. Its IUPAC name is ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117108846
Molecular FormulaC11H10BrF3O3
Molecular Weight327.10 g/mol
Exact Mass325.98
IUPAC Nameethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3O3/c1-2-18-10(17)9(16)7-4-3-6(12)5-8(7)11(13,14)15/h3-5,9,16H,2H2,1H3
InChIKeyWGQALIXWKKPCIY-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-ethoxyethanamine
CID 79574373
methyl 3-[4-bromo-2-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865195
ethyl 2-[4-bromo-2-(trifluoromethyl)anilino]pentanoate
CID 83035937
2-[4-bromo-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 86649634
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile
CID 158190195
1-[4-bromo-2-(trifluoromethyl)phenyl]hexan-1-amine
CID 55187013
2-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]butan-1-ol
CID 107333682
methyl 4-[4-bromo-2-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoate
CID 171896734
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
ethane;ethyl 2-[4-bromo-2-(trifluoromethyl)phenoxy]acetate
CID 154670957

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate (CID 117108846) is ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is WGQALIXWKKPCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O3/c1-2-18-10(17)9(16)7-4-3-6(12)5-8(7)11(13,14)15/h3-5,9,16H,2H2,1H3.
What are the key properties of ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 327.10 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117108846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).