(2,3,4-trifluorophenyl) 2-hydroxyacetate

C8H5F3O3 — CID 117051260

IUPAC(2,3,4-trifluorophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F3O3/c9-4-1-2-5(8(11)7(4)10)14-6(13)3-12/h1-2,12H,3H2
InChIKeyOJVIKIDWNMBDFX-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.00
Rot. Bonds2

About (2,3,4-trifluorophenyl) 2-hydroxyacetate

(2,3,4-trifluorophenyl) 2-hydroxyacetate (PubChem CID 117051260) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl) 2-hydroxyacetate
PubChem CID117051260
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name(2,3,4-trifluorophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F3O3/c9-4-1-2-5(8(11)7(4)10)14-6(13)3-12/h1-2,12H,3H2
InChIKeyOJVIKIDWNMBDFX-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.00
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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Related Compounds

(2,3,4-trifluorophenyl) 3-oxobutanoate
CID 150304039
(2,3,4-trifluorophenyl) 2-hydroxypropanoate
CID 117051257
(2,3,4-trifluorophenyl) 2-ethylbutanoate
CID 91695638
1-O-ethyl 3-O-(2,3,4-trifluorophenyl) 2-ethylpropanedioate
CID 174398828
4-O-(2-chloro-6-fluorophenyl) 1-O-(2,3,4-trifluorophenyl) butanedioate
CID 91736678
1-O-(2,3-dichlorophenyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91738261
1-O-(3-chlorophenyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91736060
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
(2,3,4-trifluorophenyl) N-amino-N-tert-butylcarbamate
CID 140664582
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
1-O-(naphthalen-2-ylmethyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91717224

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl) 2-hydroxyacetate?
The IUPAC name of (2,3,4-trifluorophenyl) 2-hydroxyacetate (CID 117051260) is (2,3,4-trifluorophenyl) 2-hydroxyacetate.
What is the SMILES notation for (2,3,4-trifluorophenyl) 2-hydroxyacetate?
The canonical SMILES for (2,3,4-trifluorophenyl) 2-hydroxyacetate is O=C(CO)Oc1ccc(F)c(F)c1F.
What is the InChIKey of (2,3,4-trifluorophenyl) 2-hydroxyacetate?
The InChIKey is OJVIKIDWNMBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O3/c9-4-1-2-5(8(11)7(4)10)14-6(13)3-12/h1-2,12H,3H2.
What are the key properties of (2,3,4-trifluorophenyl) 2-hydroxyacetate?
(2,3,4-trifluorophenyl) 2-hydroxyacetate has a molecular weight of 206.12 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl) 2-hydroxyacetate is sourced from PubChem (CID 117051260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).