ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate

C10H11ClFNO2 — CID 69297881

IUPACethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5H,2,4,13H2,1H3
InChIKeyRHHPBWGHAVQJRS-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.17
Rot. Bonds3

About ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate

ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate (PubChem CID 69297881) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
PubChem CID69297881
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Nameethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5H,2,4,13H2,1H3
InChIKeyRHHPBWGHAVQJRS-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate (CID 69297881) is ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate is CCOC(=O)Cc1cc(N)c(F)cc1Cl.
What is the InChIKey of ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate?
The InChIKey is RHHPBWGHAVQJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5H,2,4,13H2,1H3.
What are the key properties of ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate?
ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate has a molecular weight of 231.65 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2-chloro-4-fluorophenyl)acetate is sourced from PubChem (CID 69297881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).