(2E)-2-(2-fluoroethoxyimino)acetic acid

C4H6FNO3 — CID 14307567

IUPAC(2E)-2-(2-fluoroethoxyimino)acetic acid
SMILESO=C(O)/C=N/OCCF
InChIInChI=1S/C4H6FNO3/c5-1-2-9-6-3-4(7)8/h3H,1-2H2,(H,7,8)/b6-3+
InChIKeyFNCGXFJTSGZFMQ-ZZXKWVIFSA-N
MW135.09 g/mol
LogP0.04
Rot. Bonds4

About (2E)-2-(2-fluoroethoxyimino)acetic acid

(2E)-2-(2-fluoroethoxyimino)acetic acid (PubChem CID 14307567) has the molecular formula C4H6FNO3 and a molecular weight of 135.09 g/mol. Its IUPAC name is (2E)-2-(2-fluoroethoxyimino)acetic acid.

Molecular Properties

Compound Name(2E)-2-(2-fluoroethoxyimino)acetic acid
PubChem CID14307567
Molecular FormulaC4H6FNO3
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name(2E)-2-(2-fluoroethoxyimino)acetic acid
SMILESO=C(O)/C=N/OCCF
InChIInChI=1S/C4H6FNO3/c5-1-2-9-6-3-4(7)8/h3H,1-2H2,(H,7,8)/b6-3+
InChIKeyFNCGXFJTSGZFMQ-ZZXKWVIFSA-N
XLogP0.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-(2-fluoroethoxyimino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-fluoroethoxyimino)acetic acid?
The IUPAC name of (2E)-2-(2-fluoroethoxyimino)acetic acid (CID 14307567) is (2E)-2-(2-fluoroethoxyimino)acetic acid.
What is the SMILES notation for (2E)-2-(2-fluoroethoxyimino)acetic acid?
The canonical SMILES for (2E)-2-(2-fluoroethoxyimino)acetic acid is O=C(O)/C=N/OCCF.
What is the InChIKey of (2E)-2-(2-fluoroethoxyimino)acetic acid?
The InChIKey is FNCGXFJTSGZFMQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H6FNO3/c5-1-2-9-6-3-4(7)8/h3H,1-2H2,(H,7,8)/b6-3+.
What are the key properties of (2E)-2-(2-fluoroethoxyimino)acetic acid?
(2E)-2-(2-fluoroethoxyimino)acetic acid has a molecular weight of 135.09 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-fluoroethoxyimino)acetic acid is sourced from PubChem (CID 14307567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).