ethyl 2-(4-fluoroanilino)acetate

C10H12FNO2 — CID 711751

IUPACethyl 2-(4-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyGRCDHRQVZPLOIP-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-(4-fluoroanilino)acetate

ethyl 2-(4-fluoroanilino)acetate (PubChem CID 711751) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)acetate
PubChem CID711751
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 2-(4-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyGRCDHRQVZPLOIP-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-fluoroanilino)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-(4-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(4-fluoroanilino)acetate (CID 711751) is ethyl 2-(4-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)acetate is CCOC(=O)CNc1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)acetate?
The InChIKey is GRCDHRQVZPLOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-14-10(13)7-12-9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-fluoroanilino)acetate?
ethyl 2-(4-fluoroanilino)acetate has a molecular weight of 197.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)acetate is sourced from PubChem (CID 711751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).