fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate

C5H7F2NO3 — CID 89098179

IUPACfluoromethyl (2E)-2-(fluoromethoxyimino)propanoate
SMILESC/C(=N\OCF)C(=O)OCF
InChIInChI=1S/C5H7F2NO3/c1-4(8-11-3-7)5(9)10-2-6/h2-3H2,1H3/b8-4+
InChIKeyXZKPKJTUTFADLH-XBXARRHUSA-N
MW167.11 g/mol
LogP0.78
Rot. Bonds4

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

fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate (PubChem CID 89098179) has the molecular formula C5H7F2NO3 and a molecular weight of 167.11 g/mol. Its IUPAC name is fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate.

Molecular Properties

Compound Namefluoromethyl (2E)-2-(fluoromethoxyimino)propanoate
PubChem CID89098179
Molecular FormulaC5H7F2NO3
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Namefluoromethyl (2E)-2-(fluoromethoxyimino)propanoate
SMILESC/C(=N\OCF)C(=O)OCF
InChIInChI=1S/C5H7F2NO3/c1-4(8-11-3-7)5(9)10-2-6/h2-3H2,1H3/b8-4+
InChIKeyXZKPKJTUTFADLH-XBXARRHUSA-N
XLogP0.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 50.78
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 fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate?
The IUPAC name of fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate (CID 89098179) is fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate.
What is the SMILES notation for fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate?
The canonical SMILES for fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate is C/C(=N\OCF)C(=O)OCF.
What is the InChIKey of fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate?
The InChIKey is XZKPKJTUTFADLH-XBXARRHUSA-N. The full InChI is InChI=1S/C5H7F2NO3/c1-4(8-11-3-7)5(9)10-2-6/h2-3H2,1H3/b8-4+.
What are the key properties of fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate?
fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate has a molecular weight of 167.11 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl (2E)-2-(fluoromethoxyimino)propanoate is sourced from PubChem (CID 89098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).