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

C9H7F3O3 — CID 117051257

IUPAC(2,3,4-trifluorophenyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C9H7F3O3/c1-4(13)9(14)15-6-3-2-5(10)7(11)8(6)12/h2-4,13H,1H3
InChIKeyDXWXIALIPMIINA-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.39
Rot. Bonds2

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

(2,3,4-trifluorophenyl) 2-hydroxypropanoate (PubChem CID 117051257) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl) 2-hydroxypropanoate
PubChem CID117051257
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name(2,3,4-trifluorophenyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C9H7F3O3/c1-4(13)9(14)15-6-3-2-5(10)7(11)8(6)12/h2-4,13H,1H3
InChIKeyDXWXIALIPMIINA-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.39
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) 2-ethylbutanoate
CID 91695638
1-O-ethyl 3-O-(2,3,4-trifluorophenyl) 2-ethylpropanedioate
CID 174398828
(2,3,4-trifluorophenyl) 2-hydroxyacetate
CID 117051260
(2,3,4-trifluorophenyl) 3-oxobutanoate
CID 150304039
(2,3,4-trifluorophenyl) N-amino-N-tert-butylcarbamate
CID 140664582
(2,3,4,5,6-pentafluorophenyl) 2-hydroxypropanoate
CID 117051226
2,3-difluoro-4-(2-iodopropanoyloxy)benzoate
CID 154609349
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
(2-acetyl-4-propan-2-ylphenyl) 2-hydroxypropanoate
CID 90191595
ethyl 3-methyl-2-(2,3,4-trifluorophenyl)butanoate
CID 62963748

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl) 2-hydroxypropanoate?
The IUPAC name of (2,3,4-trifluorophenyl) 2-hydroxypropanoate (CID 117051257) is (2,3,4-trifluorophenyl) 2-hydroxypropanoate.
What is the SMILES notation for (2,3,4-trifluorophenyl) 2-hydroxypropanoate?
The canonical SMILES for (2,3,4-trifluorophenyl) 2-hydroxypropanoate is CC(O)C(=O)Oc1ccc(F)c(F)c1F.
What is the InChIKey of (2,3,4-trifluorophenyl) 2-hydroxypropanoate?
The InChIKey is DXWXIALIPMIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-4(13)9(14)15-6-3-2-5(10)7(11)8(6)12/h2-4,13H,1H3.
What are the key properties of (2,3,4-trifluorophenyl) 2-hydroxypropanoate?
(2,3,4-trifluorophenyl) 2-hydroxypropanoate has a molecular weight of 220.15 g/mol, XLogP of 1.39, 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-hydroxypropanoate is sourced from PubChem (CID 117051257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).