potassium 2-fluoro-3-hydroxy-3-oxopropanoate

C3H2FKO4 — CID 23691016

IUPACpotassium 2-fluoro-3-hydroxy-3-oxopropanoate
SMILESO=C([O-])C(F)C(=O)O.[K+]
InChIInChI=1S/C3H3FO4.K/c4-1(2(5)6)3(7)8;/h1H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyUTFLGTQQIGCGQZ-UHFFFAOYSA-M
MW160.14 g/mol
LogP-4.84
Rot. Bonds2

About potassium 2-fluoro-3-hydroxy-3-oxopropanoate

potassium 2-fluoro-3-hydroxy-3-oxopropanoate (PubChem CID 23691016) has the molecular formula C3H2FKO4 and a molecular weight of 160.14 g/mol. Its IUPAC name is potassium 2-fluoro-3-hydroxy-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 2-fluoro-3-hydroxy-3-oxopropanoate
PubChem CID23691016
Molecular FormulaC3H2FKO4
Molecular Weight160.14 g/mol
Exact Mass159.96
IUPAC Namepotassium 2-fluoro-3-hydroxy-3-oxopropanoate
SMILESO=C([O-])C(F)C(=O)O.[K+]
InChIInChI=1S/C3H3FO4.K/c4-1(2(5)6)3(7)8;/h1H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyUTFLGTQQIGCGQZ-UHFFFAOYSA-M
XLogP-4.84
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-4.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Malonic Acid
CID 867
2-Fluoropropanedioic acid
CID 18365
(2H2)Malonic (2H2)acid
CID 123087
Propanedioic acid, potassium salt (1:1)
CID 23673630
(1,3-~13~C_2_)Propanedioic acid
CID 16213460
Malonic acid-2-13C
CID 11332425
Malonic Acid-1,2,3-13C3
CID 16213461
Malonic acid, monosodium salt
CID 23719500
Propanedioic acid, ion(1-)
CID 3748644
Propanedioic-d2
CID 54147700
CID 87058070
CID 87058070
Malonic acid water
CID 87370726

Frequently Asked Questions

What is the IUPAC name of potassium 2-fluoro-3-hydroxy-3-oxopropanoate?
The IUPAC name of potassium 2-fluoro-3-hydroxy-3-oxopropanoate (CID 23691016) is potassium 2-fluoro-3-hydroxy-3-oxopropanoate.
What is the SMILES notation for potassium 2-fluoro-3-hydroxy-3-oxopropanoate?
The canonical SMILES for potassium 2-fluoro-3-hydroxy-3-oxopropanoate is O=C([O-])C(F)C(=O)O.[K+].
What is the InChIKey of potassium 2-fluoro-3-hydroxy-3-oxopropanoate?
The InChIKey is UTFLGTQQIGCGQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3FO4.K/c4-1(2(5)6)3(7)8;/h1H,(H,5,6)(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2-fluoro-3-hydroxy-3-oxopropanoate?
potassium 2-fluoro-3-hydroxy-3-oxopropanoate has a molecular weight of 160.14 g/mol, XLogP of -4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-fluoro-3-hydroxy-3-oxopropanoate is sourced from PubChem (CID 23691016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).