ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate

C10H9BrClFO3 — CID 117496369

IUPACethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(Cl)c1Br
InChIInChI=1S/C10H9BrClFO3/c1-2-16-10(15)9(14)7-6(13)4-3-5(12)8(7)11/h3-4,9,14H,2H2,1H3
InChIKeyFFMJOEQHDVQLAE-UHFFFAOYSA-N
MW311.53 g/mol
LogP2.84
Rot. Bonds3

About ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate

ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate (PubChem CID 117496369) has the molecular formula C10H9BrClFO3 and a molecular weight of 311.53 g/mol. Its IUPAC name is ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
PubChem CID117496369
Molecular FormulaC10H9BrClFO3
Molecular Weight311.53 g/mol
Exact Mass309.94
IUPAC Nameethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(Cl)c1Br
InChIInChI=1S/C10H9BrClFO3/c1-2-16-10(15)9(14)7-6(13)4-3-5(12)8(7)11/h3-4,9,14H,2H2,1H3
InChIKeyFFMJOEQHDVQLAE-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
3-amino-2-(2-bromo-3-chloro-6-fluorophenyl)propanoic acid
CID 117477821
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
ethyl 2-(4-bromo-5-chloro-2-methylthiophen-3-yl)-2-hydroxyacetate
CID 70818320
ethyl (2S)-2-(5-bromo-4-chloro-2,6-dimethyl-3-pyridinyl)-2-hydroxyacetate
CID 126615845

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate (CID 117496369) is ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(F)ccc(Cl)c1Br.
What is the InChIKey of ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate?
The InChIKey is FFMJOEQHDVQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO3/c1-2-16-10(15)9(14)7-6(13)4-3-5(12)8(7)11/h3-4,9,14H,2H2,1H3.
What are the key properties of ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate?
ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate has a molecular weight of 311.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 117496369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).