fluoro 3-fluoro-2-methoxyiminopropanoate

C4H5F2NO3 — CID 174459599

IUPACfluoro 3-fluoro-2-methoxyiminopropanoate
SMILESCON=C(CF)C(=O)OF
InChIInChI=1S/C4H5F2NO3/c1-9-7-3(2-5)4(8)10-6/h2H2,1H3
InChIKeyMZJKJTDZISZGJC-UHFFFAOYSA-N
MW153.08 g/mol
LogP0.39
Rot. Bonds3

About fluoro 3-fluoro-2-methoxyiminopropanoate

fluoro 3-fluoro-2-methoxyiminopropanoate (PubChem CID 174459599) has the molecular formula C4H5F2NO3 and a molecular weight of 153.08 g/mol. Its IUPAC name is fluoro 3-fluoro-2-methoxyiminopropanoate.

Molecular Properties

Compound Namefluoro 3-fluoro-2-methoxyiminopropanoate
PubChem CID174459599
Molecular FormulaC4H5F2NO3
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Namefluoro 3-fluoro-2-methoxyiminopropanoate
SMILESCON=C(CF)C(=O)OF
InChIInChI=1S/C4H5F2NO3/c1-9-7-3(2-5)4(8)10-6/h2H2,1H3
InChIKeyMZJKJTDZISZGJC-UHFFFAOYSA-N
XLogP0.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 50.39
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 fluoro 3-fluoro-2-methoxyiminopropanoate?
The IUPAC name of fluoro 3-fluoro-2-methoxyiminopropanoate (CID 174459599) is fluoro 3-fluoro-2-methoxyiminopropanoate.
What is the SMILES notation for fluoro 3-fluoro-2-methoxyiminopropanoate?
The canonical SMILES for fluoro 3-fluoro-2-methoxyiminopropanoate is CON=C(CF)C(=O)OF.
What is the InChIKey of fluoro 3-fluoro-2-methoxyiminopropanoate?
The InChIKey is MZJKJTDZISZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO3/c1-9-7-3(2-5)4(8)10-6/h2H2,1H3.
What are the key properties of fluoro 3-fluoro-2-methoxyiminopropanoate?
fluoro 3-fluoro-2-methoxyiminopropanoate has a molecular weight of 153.08 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-fluoro-2-methoxyiminopropanoate is sourced from PubChem (CID 174459599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).