ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate

C11H11FN2O3 — CID 72800975

IUPACethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-11(16)9(14-13)10(15)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3
InChIKeyNPIAXBDCUMCXFG-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate

ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate (PubChem CID 72800975) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate
PubChem CID72800975
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-11(16)9(14-13)10(15)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3
InChIKeyNPIAXBDCUMCXFG-UHFFFAOYSA-N
XLogP1.09
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate?
The IUPAC name of ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate (CID 72800975) is ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate is CCOC(=O)C(=[N+]=[N-])C(O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate?
The InChIKey is NPIAXBDCUMCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-17-11(16)9(14-13)10(15)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3.
What are the key properties of ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate?
ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate has a molecular weight of 238.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-(4-fluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 72800975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).