ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate

C10H9F3O4 — CID 117108858

IUPACethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H9F3O4/c1-2-17-10(16)8(14)4-3-5(11)7(13)9(15)6(4)12/h3,8,14-15H,2H2,1H3
InChIKeyNFJJOLWDEBMVCT-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate

ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate (PubChem CID 117108858) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
PubChem CID117108858
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Nameethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
SMILESCCOC(=O)C(O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H9F3O4/c1-2-17-10(16)8(14)4-3-5(11)7(13)9(15)6(4)12/h3,8,14-15H,2H2,1H3
InChIKeyNFJJOLWDEBMVCT-UHFFFAOYSA-N
XLogP1.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate 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

ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-hydroxyacetate
CID 117495234
ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
methyl 2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 117344142
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate (CID 117108858) is ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate is CCOC(=O)C(O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate?
The InChIKey is NFJJOLWDEBMVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-2-17-10(16)8(14)4-3-5(11)7(13)9(15)6(4)12/h3,8,14-15H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate?
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate has a molecular weight of 250.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate is sourced from PubChem (CID 117108858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).