2-ethoxyethyl 2-fluoroacetate

C6H11FO3 — CID 88537895

IUPAC2-ethoxyethyl 2-fluoroacetate
SMILESCCOCCOC(=O)CF
InChIInChI=1S/C6H11FO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3
InChIKeyXWZGLZVKJPCTFK-UHFFFAOYSA-N
MW150.15 g/mol
LogP0.54
Rot. Bonds5

About 2-ethoxyethyl 2-fluoroacetate

2-ethoxyethyl 2-fluoroacetate (PubChem CID 88537895) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-ethoxyethyl 2-fluoroacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-fluoroacetate
PubChem CID88537895
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name2-ethoxyethyl 2-fluoroacetate
SMILESCCOCCOC(=O)CF
InChIInChI=1S/C6H11FO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3
InChIKeyXWZGLZVKJPCTFK-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl 2-fluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
propyl 2-fluoroacetate
CID 24957
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CID 22481559
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-fluoroacetate?
The IUPAC name of 2-ethoxyethyl 2-fluoroacetate (CID 88537895) is 2-ethoxyethyl 2-fluoroacetate.
What is the SMILES notation for 2-ethoxyethyl 2-fluoroacetate?
The canonical SMILES for 2-ethoxyethyl 2-fluoroacetate is CCOCCOC(=O)CF.
What is the InChIKey of 2-ethoxyethyl 2-fluoroacetate?
The InChIKey is XWZGLZVKJPCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3.
What are the key properties of 2-ethoxyethyl 2-fluoroacetate?
2-ethoxyethyl 2-fluoroacetate has a molecular weight of 150.15 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-fluoroacetate is sourced from PubChem (CID 88537895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).