methyl (2E)-2-(difluoromethoxyimino)acetate

C4H5F2NO3 — CID 134405543

IUPACmethyl (2E)-2-(difluoromethoxyimino)acetate
SMILESCOC(=O)/C=N/OC(F)F
InChIInChI=1S/C4H5F2NO3/c1-9-3(8)2-7-10-4(5)6/h2,4H,1H3/b7-2+
InChIKeyHVGJNOYIPLLJBQ-FARCUNLSSA-N
MW153.08 g/mol
LogP0.38
Rot. Bonds3

About methyl (2E)-2-(difluoromethoxyimino)acetate

methyl (2E)-2-(difluoromethoxyimino)acetate (PubChem CID 134405543) has the molecular formula C4H5F2NO3 and a molecular weight of 153.08 g/mol. Its IUPAC name is methyl (2E)-2-(difluoromethoxyimino)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(difluoromethoxyimino)acetate
PubChem CID134405543
Molecular FormulaC4H5F2NO3
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Namemethyl (2E)-2-(difluoromethoxyimino)acetate
SMILESCOC(=O)/C=N/OC(F)F
InChIInChI=1S/C4H5F2NO3/c1-9-3(8)2-7-10-4(5)6/h2,4H,1H3/b7-2+
InChIKeyHVGJNOYIPLLJBQ-FARCUNLSSA-N
XLogP0.38
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 ≤ 50.38
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-(difluoromethoxyimino)acetate?
The IUPAC name of methyl (2E)-2-(difluoromethoxyimino)acetate (CID 134405543) is methyl (2E)-2-(difluoromethoxyimino)acetate.
What is the SMILES notation for methyl (2E)-2-(difluoromethoxyimino)acetate?
The canonical SMILES for methyl (2E)-2-(difluoromethoxyimino)acetate is COC(=O)/C=N/OC(F)F.
What is the InChIKey of methyl (2E)-2-(difluoromethoxyimino)acetate?
The InChIKey is HVGJNOYIPLLJBQ-FARCUNLSSA-N. The full InChI is InChI=1S/C4H5F2NO3/c1-9-3(8)2-7-10-4(5)6/h2,4H,1H3/b7-2+.
What are the key properties of methyl (2E)-2-(difluoromethoxyimino)acetate?
methyl (2E)-2-(difluoromethoxyimino)acetate has a molecular weight of 153.08 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(difluoromethoxyimino)acetate is sourced from PubChem (CID 134405543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).