sodium 2-fluoro-3-hydroxybutanoate

C4H6FNaO3 — CID 23684820

IUPACsodium 2-fluoro-3-hydroxybutanoate
SMILESCC(O)C(F)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7FO3.Na/c1-2(6)3(5)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1
InChIKeyWBNRKRHJLZXARQ-UHFFFAOYSA-M
MW144.08 g/mol
LogP-4.54
Rot. Bonds2

About sodium 2-fluoro-3-hydroxybutanoate

sodium 2-fluoro-3-hydroxybutanoate (PubChem CID 23684820) has the molecular formula C4H6FNaO3 and a molecular weight of 144.08 g/mol. Its IUPAC name is sodium 2-fluoro-3-hydroxybutanoate.

Molecular Properties

Compound Namesodium 2-fluoro-3-hydroxybutanoate
PubChem CID23684820
Molecular FormulaC4H6FNaO3
Molecular Weight144.08 g/mol
Exact Mass144.02
IUPAC Namesodium 2-fluoro-3-hydroxybutanoate
SMILESCC(O)C(F)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7FO3.Na/c1-2(6)3(5)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1
InChIKeyWBNRKRHJLZXARQ-UHFFFAOYSA-M
XLogP-4.54
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 5-4.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-fluoro-3-hydroxybutanoate?
The IUPAC name of sodium 2-fluoro-3-hydroxybutanoate (CID 23684820) is sodium 2-fluoro-3-hydroxybutanoate.
What is the SMILES notation for sodium 2-fluoro-3-hydroxybutanoate?
The canonical SMILES for sodium 2-fluoro-3-hydroxybutanoate is CC(O)C(F)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-fluoro-3-hydroxybutanoate?
The InChIKey is WBNRKRHJLZXARQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7FO3.Na/c1-2(6)3(5)4(7)8;/h2-3,6H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-fluoro-3-hydroxybutanoate?
sodium 2-fluoro-3-hydroxybutanoate has a molecular weight of 144.08 g/mol, XLogP of -4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-fluoro-3-hydroxybutanoate is sourced from PubChem (CID 23684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).