ethyl 2-diazo-2-(2-fluorophenyl)acetate

C10H9FN2O2 — CID 125472212

IUPACethyl 2-diazo-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)9(13-12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKeyRKLQAAKFZYHLQM-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-diazo-2-(2-fluorophenyl)acetate

ethyl 2-diazo-2-(2-fluorophenyl)acetate (PubChem CID 125472212) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is ethyl 2-diazo-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-diazo-2-(2-fluorophenyl)acetate
PubChem CID125472212
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Nameethyl 2-diazo-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(=[N+]=[N-])c1ccccc1F
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)9(13-12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKeyRKLQAAKFZYHLQM-UHFFFAOYSA-N
XLogP1.41
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-2-(2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-diazo-2-(2-fluorophenyl)acetate (CID 125472212) is ethyl 2-diazo-2-(2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-diazo-2-(2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-diazo-2-(2-fluorophenyl)acetate is CCOC(=O)C(=[N+]=[N-])c1ccccc1F.
What is the InChIKey of ethyl 2-diazo-2-(2-fluorophenyl)acetate?
The InChIKey is RKLQAAKFZYHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-15-10(14)9(13-12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-diazo-2-(2-fluorophenyl)acetate?
ethyl 2-diazo-2-(2-fluorophenyl)acetate has a molecular weight of 208.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 125472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).