ethyl 2-fluoro-3-hydroxyiminobutanoate

C6H10FNO3 — CID 174466768

IUPACethyl 2-fluoro-3-hydroxyiminobutanoate
SMILESCCOC(=O)C(F)C(C)=NO
InChIInChI=1S/C6H10FNO3/c1-3-11-6(9)5(7)4(2)8-10/h5,10H,3H2,1-2H3
InChIKeyHILHYMFMHXAEQY-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.74
Rot. Bonds3

About ethyl 2-fluoro-3-hydroxyiminobutanoate

ethyl 2-fluoro-3-hydroxyiminobutanoate (PubChem CID 174466768) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxyiminobutanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxyiminobutanoate
PubChem CID174466768
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Nameethyl 2-fluoro-3-hydroxyiminobutanoate
SMILESCCOC(=O)C(F)C(C)=NO
InChIInChI=1S/C6H10FNO3/c1-3-11-6(9)5(7)4(2)8-10/h5,10H,3H2,1-2H3
InChIKeyHILHYMFMHXAEQY-UHFFFAOYSA-N
XLogP0.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 2-fluoro-3-hydroxyiminobutanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxyiminobutanoate (CID 174466768) is ethyl 2-fluoro-3-hydroxyiminobutanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxyiminobutanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxyiminobutanoate is CCOC(=O)C(F)C(C)=NO.
What is the InChIKey of ethyl 2-fluoro-3-hydroxyiminobutanoate?
The InChIKey is HILHYMFMHXAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-3-11-6(9)5(7)4(2)8-10/h5,10H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-hydroxyiminobutanoate?
ethyl 2-fluoro-3-hydroxyiminobutanoate has a molecular weight of 163.15 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxyiminobutanoate is sourced from PubChem (CID 174466768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).