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

C10H9F3O3 — CID 86662985

IUPACethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C10H9F3O3/c1-2-16-7(14)4-5-3-6(11)8(12)9(13)10(5)15/h3,15H,2,4H2,1H3
InChIKeyKENMKJYDXKXPKL-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.92
Rot. Bonds3

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

ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate (PubChem CID 86662985) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
PubChem CID86662985
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Nameethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(F)c(F)c(F)c1O
InChIInChI=1S/C10H9F3O3/c1-2-16-7(14)4-5-3-6(11)8(12)9(13)10(5)15/h3,15H,2,4H2,1H3
InChIKeyKENMKJYDXKXPKL-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[5-fluoro-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134631817
ethyl 2,3,5-trifluoro-6-hydroxybenzoate
CID 131479608
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 2-[4-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017342
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-(2,3-difluoro-5-nitrophenyl)acetate
CID 121228590
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 4-(2-ethoxy-2-oxoethyl)-2,3,5-trifluorobenzoate
CID 22666446
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate (CID 86662985) is ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate is CCOC(=O)Cc1cc(F)c(F)c(F)c1O.
What is the InChIKey of ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate?
The InChIKey is KENMKJYDXKXPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-2-16-7(14)4-5-3-6(11)8(12)9(13)10(5)15/h3,15H,2,4H2,1H3.
What are the key properties of ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate?
ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate has a molecular weight of 234.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate is sourced from PubChem (CID 86662985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).