1-(4-fluorophenyl)ethyl 2-diazoacetate

C10H9FN2O2 — CID 175314451

IUPAC1-(4-fluorophenyl)ethyl 2-diazoacetate
SMILESCC(OC(=O)C=[N+]=[N-])c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c1-7(15-10(14)6-13-12)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyPPKGCULPKCOKNP-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-fluorophenyl)ethyl 2-diazoacetate

1-(4-fluorophenyl)ethyl 2-diazoacetate (PubChem CID 175314451) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl 2-diazoacetate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl 2-diazoacetate
PubChem CID175314451
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-(4-fluorophenyl)ethyl 2-diazoacetate
SMILESCC(OC(=O)C=[N+]=[N-])c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c1-7(15-10(14)6-13-12)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKeyPPKGCULPKCOKNP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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'}

Analyze 1-(4-fluorophenyl)ethyl 2-diazoacetate with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1-(4-fluorophenyl)ethyl 2-methylbutanoate
CID 174934035
[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
CID 7890575
[(1S)-1-(4-fluorophenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 7765911
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
CID 132573494
tert-butyl N-[3-diazo-1-(4-fluorophenyl)-2-oxopropyl]carbamate
CID 57315180
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate
CID 174434661
1-(4-methylsulfanylphenyl)ethyl prop-2-enoate
CID 156761876
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
CID 174434660
1-phenylethyl 2-(4-fluorophenyl)-2-oxoacetate
CID 122376657

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl 2-diazoacetate?
The IUPAC name of 1-(4-fluorophenyl)ethyl 2-diazoacetate (CID 175314451) is 1-(4-fluorophenyl)ethyl 2-diazoacetate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl 2-diazoacetate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl 2-diazoacetate is CC(OC(=O)C=[N+]=[N-])c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl 2-diazoacetate?
The InChIKey is PPKGCULPKCOKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-7(15-10(14)6-13-12)8-2-4-9(11)5-3-8/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)ethyl 2-diazoacetate?
1-(4-fluorophenyl)ethyl 2-diazoacetate has a molecular weight of 208.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl 2-diazoacetate is sourced from PubChem (CID 175314451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).