methyl 2-(fluoromethoxyimino)acetate

C4H6FNO3 — CID 139958052

IUPACmethyl 2-(fluoromethoxyimino)acetate
SMILESCOC(=O)C=NOCF
InChIInChI=1S/C4H6FNO3/c1-8-4(7)2-6-9-3-5/h2H,3H2,1H3
InChIKeyLSUVFFMAOZRQFO-UHFFFAOYSA-N
MW135.09 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-(fluoromethoxyimino)acetate

methyl 2-(fluoromethoxyimino)acetate (PubChem CID 139958052) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is methyl 2-(fluoromethoxyimino)acetate.

Molecular Properties

Compound Namemethyl 2-(fluoromethoxyimino)acetate
PubChem CID139958052
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Namemethyl 2-(fluoromethoxyimino)acetate
SMILESCOC(=O)C=NOCF
InChIInChI=1S/C4H6FNO3/c1-8-4(7)2-6-9-3-5/h2H,3H2,1H3
InChIKeyLSUVFFMAOZRQFO-UHFFFAOYSA-N
XLogP0.09
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 methyl 2-(fluoromethoxyimino)acetate?
The IUPAC name of methyl 2-(fluoromethoxyimino)acetate (CID 139958052) is methyl 2-(fluoromethoxyimino)acetate.
What is the SMILES notation for methyl 2-(fluoromethoxyimino)acetate?
The canonical SMILES for methyl 2-(fluoromethoxyimino)acetate is COC(=O)C=NOCF.
What is the InChIKey of methyl 2-(fluoromethoxyimino)acetate?
The InChIKey is LSUVFFMAOZRQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3/c1-8-4(7)2-6-9-3-5/h2H,3H2,1H3.
What are the key properties of methyl 2-(fluoromethoxyimino)acetate?
methyl 2-(fluoromethoxyimino)acetate has a molecular weight of 135.09 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(fluoromethoxyimino)acetate is sourced from PubChem (CID 139958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).