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

C8H5F3O3 — CID 164772497

IUPAC(2,3,4-trifluoro-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(F)c(F)c1F
InChIInChI=1S/C8H5F3O3/c1-3(12)14-5-2-4(13)6(9)8(11)7(5)10/h2,13H,1H3
InChIKeyZDETXMRGAADGQP-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.73
Rot. Bonds1

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

(2,3,4-trifluoro-5-hydroxyphenyl) acetate (PubChem CID 164772497) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is (2,3,4-trifluoro-5-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(2,3,4-trifluoro-5-hydroxyphenyl) acetate
PubChem CID164772497
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name(2,3,4-trifluoro-5-hydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(F)c(F)c1F
InChIInChI=1S/C8H5F3O3/c1-3(12)14-5-2-4(13)6(9)8(11)7(5)10/h2,13H,1H3
InChIKeyZDETXMRGAADGQP-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluoro-5-hydroxyphenyl) acetate?
The IUPAC name of (2,3,4-trifluoro-5-hydroxyphenyl) acetate (CID 164772497) is (2,3,4-trifluoro-5-hydroxyphenyl) acetate.
What is the SMILES notation for (2,3,4-trifluoro-5-hydroxyphenyl) acetate?
The canonical SMILES for (2,3,4-trifluoro-5-hydroxyphenyl) acetate is CC(=O)Oc1cc(O)c(F)c(F)c1F.
What is the InChIKey of (2,3,4-trifluoro-5-hydroxyphenyl) acetate?
The InChIKey is ZDETXMRGAADGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O3/c1-3(12)14-5-2-4(13)6(9)8(11)7(5)10/h2,13H,1H3.
What are the key properties of (2,3,4-trifluoro-5-hydroxyphenyl) acetate?
(2,3,4-trifluoro-5-hydroxyphenyl) acetate has a molecular weight of 206.12 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluoro-5-hydroxyphenyl) acetate is sourced from PubChem (CID 164772497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).