ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate

C11H10ClF3O4 — CID 117481023

IUPACethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H10ClF3O4/c1-2-19-10(18)9(17)6-3-5(12)4-7(8(6)16)11(13,14)15/h3-4,9,16-17H,2H2,1H3
InChIKeyAEVRPVUDHZFOOY-UHFFFAOYSA-N
MW298.64 g/mol
LogP2.66
Rot. Bonds3

About ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate

ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117481023) has the molecular formula C11H10ClF3O4 and a molecular weight of 298.64 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117481023
Molecular FormulaC11H10ClF3O4
Molecular Weight298.64 g/mol
Exact Mass298.02
IUPAC Nameethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H10ClF3O4/c1-2-19-10(18)9(17)6-3-5(12)4-7(8(6)16)11(13,14)15/h3-4,9,16-17H,2H2,1H3
InChIKeyAEVRPVUDHZFOOY-UHFFFAOYSA-N
XLogP2.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.64
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
2-(2-amino-1-hydroxyethyl)-4-chloro-6-(trifluoromethyl)phenol
CID 84708628
3-amino-3-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117455854
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
2-(1-aminopropan-2-yl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386945
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-[3-(difluoromethyl)-2-hydroxy-5-methoxyphenyl]-2-hydroxyacetate
CID 117442001
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
ethyl 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117493187
ethyl 2-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetate
CID 117489497
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate (CID 117481023) is ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Cl)cc(C(F)(F)F)c1O.
What is the InChIKey of ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is AEVRPVUDHZFOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O4/c1-2-19-10(18)9(17)6-3-5(12)4-7(8(6)16)11(13,14)15/h3-4,9,16-17H,2H2,1H3.
What are the key properties of ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 298.64 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117481023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).