2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid

C8H5FO4 — CID 83391232

IUPAC2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C8H5FO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKeyUHMAFVSQMDBNLG-UHFFFAOYSA-N
MW184.12 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid

2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid (PubChem CID 83391232) has the molecular formula C8H5FO4 and a molecular weight of 184.12 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
PubChem CID83391232
Molecular FormulaC8H5FO4
Molecular Weight184.12 g/mol
Exact Mass184.02
IUPAC Name2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C8H5FO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13)
InChIKeyUHMAFVSQMDBNLG-UHFFFAOYSA-N
XLogP0.80
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2-(2-bromo-4-hydroxyphenyl)-2-oxoacetic acid
CID 117363947
2-(2-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117305144
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-[(2-fluoro-4-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107674680
prop-2-enyl 2-fluoro-4-hydroxybenzoate
CID 14852522
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
2-(2,5-dichloro-3-fluorophenyl)-2-oxoacetic acid
CID 117345899

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid (CID 83391232) is 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The InChIKey is UHMAFVSQMDBNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO4/c9-6-3-4(10)1-2-5(6)7(11)8(12)13/h1-3,10H,(H,12,13).
What are the key properties of 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid?
2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid has a molecular weight of 184.12 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 83391232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).