dimethyl 2-(fluoromethoxyimino)propanedioate

C6H8FNO5 — CID 139788951

IUPACdimethyl 2-(fluoromethoxyimino)propanedioate
SMILESCOC(=O)C(=NOCF)C(=O)OC
InChIInChI=1S/C6H8FNO5/c1-11-5(9)4(6(10)12-2)8-13-3-7/h3H2,1-2H3
InChIKeyINISAZSRMFOSLE-UHFFFAOYSA-N
MW193.13 g/mol
LogP-0.37
Rot. Bonds4

About dimethyl 2-(fluoromethoxyimino)propanedioate

dimethyl 2-(fluoromethoxyimino)propanedioate (PubChem CID 139788951) has the molecular formula C6H8FNO5 and a molecular weight of 193.13 g/mol. Its IUPAC name is dimethyl 2-(fluoromethoxyimino)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(fluoromethoxyimino)propanedioate
PubChem CID139788951
Molecular FormulaC6H8FNO5
Molecular Weight193.13 g/mol
Exact Mass193.04
IUPAC Namedimethyl 2-(fluoromethoxyimino)propanedioate
SMILESCOC(=O)C(=NOCF)C(=O)OC
InChIInChI=1S/C6H8FNO5/c1-11-5(9)4(6(10)12-2)8-13-3-7/h3H2,1-2H3
InChIKeyINISAZSRMFOSLE-UHFFFAOYSA-N
XLogP-0.37
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 dimethyl 2-(fluoromethoxyimino)propanedioate?
The IUPAC name of dimethyl 2-(fluoromethoxyimino)propanedioate (CID 139788951) is dimethyl 2-(fluoromethoxyimino)propanedioate.
What is the SMILES notation for dimethyl 2-(fluoromethoxyimino)propanedioate?
The canonical SMILES for dimethyl 2-(fluoromethoxyimino)propanedioate is COC(=O)C(=NOCF)C(=O)OC.
What is the InChIKey of dimethyl 2-(fluoromethoxyimino)propanedioate?
The InChIKey is INISAZSRMFOSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO5/c1-11-5(9)4(6(10)12-2)8-13-3-7/h3H2,1-2H3.
What are the key properties of dimethyl 2-(fluoromethoxyimino)propanedioate?
dimethyl 2-(fluoromethoxyimino)propanedioate has a molecular weight of 193.13 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(fluoromethoxyimino)propanedioate is sourced from PubChem (CID 139788951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).