2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid

C6H10FNO3 — CID 173251919

IUPAC2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid
SMILESCC(C=NO)C(C)(F)C(=O)O
InChIInChI=1S/C6H10FNO3/c1-4(3-8-11)6(2,7)5(9)10/h3-4,11H,1-2H3,(H,9,10)
InChIKeyFXUKEGPAEBKRNA-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.90
Rot. Bonds3

About 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid

2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid (PubChem CID 173251919) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid
PubChem CID173251919
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid
SMILESCC(C=NO)C(C)(F)C(=O)O
InChIInChI=1S/C6H10FNO3/c1-4(3-8-11)6(2,7)5(9)10/h3-4,11H,1-2H3,(H,9,10)
InChIKeyFXUKEGPAEBKRNA-UHFFFAOYSA-N
XLogP0.90
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid?
The IUPAC name of 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid (CID 173251919) is 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid is CC(C=NO)C(C)(F)C(=O)O.
What is the InChIKey of 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid?
The InChIKey is FXUKEGPAEBKRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-4(3-8-11)6(2,7)5(9)10/h3-4,11H,1-2H3,(H,9,10).
What are the key properties of 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid?
2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid has a molecular weight of 163.15 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid is sourced from PubChem (CID 173251919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).