ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate

C12H11FO3 — CID 114732648

IUPACethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cc2ccccc2o1
InChIInChI=1S/C12H11FO3/c1-2-15-12(14)11(13)10-7-8-5-3-4-6-9(8)16-10/h3-7,11H,2H2,1H3
InChIKeyCPWFDMDJUONCOW-UHFFFAOYSA-N
MW222.22 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate

ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate (PubChem CID 114732648) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate
PubChem CID114732648
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Nameethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cc2ccccc2o1
InChIInChI=1S/C12H11FO3/c1-2-15-12(14)11(13)10-7-8-5-3-4-6-9(8)16-10/h3-7,11H,2H2,1H3
InChIKeyCPWFDMDJUONCOW-UHFFFAOYSA-N
XLogP3.01
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1-benzofuran-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate (CID 114732648) is ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate is CCOC(=O)C(F)c1cc2ccccc2o1.
What is the InChIKey of ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate?
The InChIKey is CPWFDMDJUONCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-2-15-12(14)11(13)10-7-8-5-3-4-6-9(8)16-10/h3-7,11H,2H2,1H3.
What are the key properties of ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate?
ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate has a molecular weight of 222.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-2-yl)-2-fluoroacetate is sourced from PubChem (CID 114732648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).