2-(1-fluoroethoxyimino)acetic acid

C4H6FNO3 — CID 173404586

IUPAC2-(1-fluoroethoxyimino)acetic acid
SMILESCC(F)ON=CC(=O)O
InChIInChI=1S/C4H6FNO3/c1-3(5)9-6-2-4(7)8/h2-3H,1H3,(H,7,8)
InChIKeyJWDNHRJOYLBKGO-UHFFFAOYSA-N
MW135.09 g/mol
LogP0.39
Rot. Bonds3

About 2-(1-fluoroethoxyimino)acetic acid

2-(1-fluoroethoxyimino)acetic acid (PubChem CID 173404586) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is 2-(1-fluoroethoxyimino)acetic acid.

Molecular Properties

Compound Name2-(1-fluoroethoxyimino)acetic acid
PubChem CID173404586
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2-(1-fluoroethoxyimino)acetic acid
SMILESCC(F)ON=CC(=O)O
InChIInChI=1S/C4H6FNO3/c1-3(5)9-6-2-4(7)8/h2-3H,1H3,(H,7,8)
InChIKeyJWDNHRJOYLBKGO-UHFFFAOYSA-N
XLogP0.39
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(1-fluoroethoxyimino)acetic acid?
The IUPAC name of 2-(1-fluoroethoxyimino)acetic acid (CID 173404586) is 2-(1-fluoroethoxyimino)acetic acid.
What is the SMILES notation for 2-(1-fluoroethoxyimino)acetic acid?
The canonical SMILES for 2-(1-fluoroethoxyimino)acetic acid is CC(F)ON=CC(=O)O.
What is the InChIKey of 2-(1-fluoroethoxyimino)acetic acid?
The InChIKey is JWDNHRJOYLBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3/c1-3(5)9-6-2-4(7)8/h2-3H,1H3,(H,7,8).
What are the key properties of 2-(1-fluoroethoxyimino)acetic acid?
2-(1-fluoroethoxyimino)acetic acid has a molecular weight of 135.09 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethoxyimino)acetic acid is sourced from PubChem (CID 173404586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).