ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate

C10H12ClFN2O2 — CID 57042633

IUPACethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate
SMILESCCOC(=O)Cc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-2-16-10(15)4-6-3-9(14-13)8(12)5-7(6)11/h3,5,14H,2,4,13H2,1H3
InChIKeyCEZAIWVPAJAGBO-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate

ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate (PubChem CID 57042633) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate
PubChem CID57042633
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Nameethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate
SMILESCCOC(=O)Cc1cc(NN)c(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O2/c1-2-16-10(15)4-6-3-9(14-13)8(12)5-7(6)11/h3,5,14H,2,4,13H2,1H3
InChIKeyCEZAIWVPAJAGBO-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate?
The IUPAC name of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate (CID 57042633) is ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate is CCOC(=O)Cc1cc(NN)c(F)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate?
The InChIKey is CEZAIWVPAJAGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-2-16-10(15)4-6-3-9(14-13)8(12)5-7(6)11/h3,5,14H,2,4,13H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate?
ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate has a molecular weight of 246.67 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-fluoro-5-hydrazinylphenyl)acetate is sourced from PubChem (CID 57042633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).