(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid

C6H10FNO3 — CID 22769342

IUPAC(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)/C(CF)=N/O
InChIInChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(3-7)8-11/h11H,3H2,1-2H3,(H,9,10)/b8-4+
InChIKeyXVYPQOCARKJHRC-XBXARRHUSA-N
MW163.15 g/mol
LogP0.90
Rot. Bonds3

About (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid

(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid (PubChem CID 22769342) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
PubChem CID22769342
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name(3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)/C(CF)=N/O
InChIInChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(3-7)8-11/h11H,3H2,1-2H3,(H,9,10)/b8-4+
InChIKeyXVYPQOCARKJHRC-XBXARRHUSA-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

3-Fluoro-4-hydroxyimino-2,2-dimethylbutanoic acid
CID 173251878
3,4,4-Trimethyl-isoxazol-5(4H)-one
CID 534990
(3Z)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanoic acid
CID 22769351
(2E)-2-hydroxyimino-3-methylbutanoic acid
CID 13012724
(2Z)-2-hydroxyimino-3,3-dimethylbutanoic acid
CID 15337895
(2Z)-2-hydroxyimino-3-methylbutanoic acid
CID 20401633
2-(Hydroxyimino)-3,3-dimethylbutanoic acid
CID 71381629
2-Oximino-3-methylbutanoic acid
CID 73164534
3-Methoxyimino-2-methylbutanoic acid
CID 76225074
3-Imino-2,2-dimethylbutanoic acid
CID 149183871
methyl (3E)-3-hydroxyimino-2,2-dimethylbutanoate
CID 24976905
(3Z)-3-methoxyimino-2-methylbutanoic acid
CID 55298412

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid?
The IUPAC name of (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid (CID 22769342) is (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid.
What is the SMILES notation for (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid?
The canonical SMILES for (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)/C(CF)=N/O.
What is the InChIKey of (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid?
The InChIKey is XVYPQOCARKJHRC-XBXARRHUSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-6(2,5(9)10)4(3-7)8-11/h11H,3H2,1-2H3,(H,9,10)/b8-4+.
What are the key properties of (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid?
(3Z)-4-fluoro-3-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 (3Z)-4-fluoro-3-hydroxyimino-2,2-dimethylbutanoic acid is sourced from PubChem (CID 22769342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).