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

C6H10FNO3 — CID 173251878

IUPAC3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(F)C=NO
InChIInChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(7)3-8-11/h3-4,11H,1-2H3,(H,9,10)
InChIKeyOUBAIXGHRAFITC-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.90
Rot. Bonds3

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

3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid (PubChem CID 173251878) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid
PubChem CID173251878
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(F)C=NO
InChIInChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(7)3-8-11/h3-4,11H,1-2H3,(H,9,10)
InChIKeyOUBAIXGHRAFITC-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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Related Compounds

4-Ethylimino-2-fluoro-2-methylbutanoic acid
CID 139492482
2-Fluoro-4-hydroxyiminobutanoic acid
CID 139902184
3-Fluoro-4-hydroxyiminobutanoic acid
CID 139902185
2-Fluoro-4-hydroxyimino-3,3-dimethylbutanoic acid
CID 173251918
2-Fluoro-4-hydroxyimino-2,3-dimethylbutanoic acid
CID 173251919
4-Imino-2-methyl-2-(trifluoromethyl)butanoic acid
CID 174558551
(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
CID 22769342
methyl (4Z)-4-hydroxyimino-2,2-dimethylbutanoate
CID 54026999
(3S,4E)-4-methoxyimino-3-methylbutanoic acid
CID 88961174
(3Z,4Z)-3,4-bis(hydroxyimino)-2,2-dimethylbutanoic acid
CID 136411847
4-Imino-2,2-dimethylbutanoic acid
CID 174659797
(4E)-4-hydroxyimino-2-methylbutanoic acid
CID 55302697

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid?
The IUPAC name of 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid (CID 173251878) is 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)C(F)C=NO.
What is the InChIKey of 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid?
The InChIKey is OUBAIXGHRAFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(7)3-8-11/h3-4,11H,1-2H3,(H,9,10).
What are the key properties of 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid?
3-fluoro-4-hydroxyimino-2,2-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 3-fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid is sourced from PubChem (CID 173251878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).