ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate

C10H12ClFN2O2 — CID 140734868

IUPACethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
SMILESCCOC(=O)C(Cl)NNc1ccc(F)cc1
InChIInChI=1S/C10H12ClFN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,9,13-14H,2H2,1H3
InChIKeyBUEPQAFWUANPGK-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate

ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate (PubChem CID 140734868) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
PubChem CID140734868
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Nameethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate
SMILESCCOC(=O)C(Cl)NNc1ccc(F)cc1
InChIInChI=1S/C10H12ClFN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,9,13-14H,2H2,1H3
InChIKeyBUEPQAFWUANPGK-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate?
The IUPAC name of ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate (CID 140734868) is ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate?
The canonical SMILES for ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate is CCOC(=O)C(Cl)NNc1ccc(F)cc1.
What is the InChIKey of ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate?
The InChIKey is BUEPQAFWUANPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-2-16-10(15)9(11)14-13-8-5-3-7(12)4-6-8/h3-6,9,13-14H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate?
ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate has a molecular weight of 246.67 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[2-(4-fluorophenyl)hydrazinyl]acetate is sourced from PubChem (CID 140734868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).