ethyl 2-(4-chloro-2-fluoroanilino)acetate

C10H11ClFNO2 — CID 22934781

IUPACethyl 2-(4-chloro-2-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13H,2,6H2,1H3
InChIKeyKKCXRCMIRKFRGD-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-(4-chloro-2-fluoroanilino)acetate

ethyl 2-(4-chloro-2-fluoroanilino)acetate (PubChem CID 22934781) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-fluoroanilino)acetate
PubChem CID22934781
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Nameethyl 2-(4-chloro-2-fluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13H,2,6H2,1H3
InChIKeyKKCXRCMIRKFRGD-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-fluoroanilino)acetate (CID 22934781) is ethyl 2-(4-chloro-2-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-fluoroanilino)acetate is CCOC(=O)CNc1ccc(Cl)cc1F.
What is the InChIKey of ethyl 2-(4-chloro-2-fluoroanilino)acetate?
The InChIKey is KKCXRCMIRKFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-15-10(14)6-13-9-4-3-7(11)5-8(9)12/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-chloro-2-fluoroanilino)acetate?
ethyl 2-(4-chloro-2-fluoroanilino)acetate has a molecular weight of 231.65 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-fluoroanilino)acetate is sourced from PubChem (CID 22934781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).