ethyl 2-fluoro-2-(4-methoxyphenyl)acetate

C11H13FO3 — CID 13399611

IUPACethyl 2-fluoro-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(OC)cc1
InChIInChI=1S/C11H13FO3/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyCGZIQZKUFKNQJZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-fluoro-2-(4-methoxyphenyl)acetate

ethyl 2-fluoro-2-(4-methoxyphenyl)acetate (PubChem CID 13399611) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methoxyphenyl)acetate
PubChem CID13399611
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-fluoro-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(OC)cc1
InChIInChI=1S/C11H13FO3/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyCGZIQZKUFKNQJZ-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoro-2-(4-methoxyphenyl)acetate 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 ethyl 2-fluoro-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-methoxyphenyl)acetate (CID 13399611) is ethyl 2-fluoro-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-methoxyphenyl)acetate is CCOC(=O)C(F)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-methoxyphenyl)acetate?
The InChIKey is CGZIQZKUFKNQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-methoxyphenyl)acetate?
ethyl 2-fluoro-2-(4-methoxyphenyl)acetate has a molecular weight of 212.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 13399611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).