methyl (2E)-2-(fluoromethoxyimino)propanoate

C5H8FNO3 — CID 89098178

IUPACmethyl (2E)-2-(fluoromethoxyimino)propanoate
SMILESCOC(=O)/C(C)=N/OCF
InChIInChI=1S/C5H8FNO3/c1-4(5(8)9-2)7-10-3-6/h3H2,1-2H3/b7-4+
InChIKeyWRMYVVJUOPYUMZ-QPJJXVBHSA-N
MW149.12 g/mol
LogP0.48
Rot. Bonds3

About methyl (2E)-2-(fluoromethoxyimino)propanoate

methyl (2E)-2-(fluoromethoxyimino)propanoate (PubChem CID 89098178) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is methyl (2E)-2-(fluoromethoxyimino)propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(fluoromethoxyimino)propanoate
PubChem CID89098178
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Namemethyl (2E)-2-(fluoromethoxyimino)propanoate
SMILESCOC(=O)/C(C)=N/OCF
InChIInChI=1S/C5H8FNO3/c1-4(5(8)9-2)7-10-3-6/h3H2,1-2H3/b7-4+
InChIKeyWRMYVVJUOPYUMZ-QPJJXVBHSA-N
XLogP0.48
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 50.48
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 (2E)-2-(fluoromethoxyimino)propanoate?
The IUPAC name of methyl (2E)-2-(fluoromethoxyimino)propanoate (CID 89098178) is methyl (2E)-2-(fluoromethoxyimino)propanoate.
What is the SMILES notation for methyl (2E)-2-(fluoromethoxyimino)propanoate?
The canonical SMILES for methyl (2E)-2-(fluoromethoxyimino)propanoate is COC(=O)/C(C)=N/OCF.
What is the InChIKey of methyl (2E)-2-(fluoromethoxyimino)propanoate?
The InChIKey is WRMYVVJUOPYUMZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8FNO3/c1-4(5(8)9-2)7-10-3-6/h3H2,1-2H3/b7-4+.
What are the key properties of methyl (2E)-2-(fluoromethoxyimino)propanoate?
methyl (2E)-2-(fluoromethoxyimino)propanoate has a molecular weight of 149.12 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(fluoromethoxyimino)propanoate is sourced from PubChem (CID 89098178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).