ethyl 2-(4-azido-3-fluorophenyl)acetate

C10H10FN3O2 — CID 134996504

IUPACethyl 2-(4-azido-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N=[N+]=[N-])c(F)c1
InChIInChI=1S/C10H10FN3O2/c1-2-16-10(15)6-7-3-4-9(13-14-12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyPNJKSZPMDPXLSI-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.87
Rot. Bonds4

About ethyl 2-(4-azido-3-fluorophenyl)acetate

ethyl 2-(4-azido-3-fluorophenyl)acetate (PubChem CID 134996504) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is ethyl 2-(4-azido-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-azido-3-fluorophenyl)acetate
PubChem CID134996504
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Nameethyl 2-(4-azido-3-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N=[N+]=[N-])c(F)c1
InChIInChI=1S/C10H10FN3O2/c1-2-16-10(15)6-7-3-4-9(13-14-12)8(11)5-7/h3-5H,2,6H2,1H3
InChIKeyPNJKSZPMDPXLSI-UHFFFAOYSA-N
XLogP2.87
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-nitrophenylacetate
CID 79517
p-Aminophenylacetic acid ethyl ester
CID 225219
4-(4-Azido-phenyl)-3-phenyl-5H-furan-2-one
CID 10084869
n-Butyl 4-aminophenylacetate
CID 12238924
Methyl p-nitrophenylacetate
CID 270191
Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl ester
CID 64864
Methyl 3-(4-aminophenyl)propanoate
CID 417374
2-(4-Azidophenyl)acetic acid
CID 359422
Tert-butyl 2-(4-aminophenyl)acetate
CID 2760930
Methyl 2-(4-aminophenyl)propionate
CID 3016109
Ethyl 2-(2-aminophenyl)acetate
CID 5743383
3-(4-Azidophenyl)propionic acid
CID 13581612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-azido-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-azido-3-fluorophenyl)acetate (CID 134996504) is ethyl 2-(4-azido-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-azido-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-azido-3-fluorophenyl)acetate is CCOC(=O)Cc1ccc(N=[N+]=[N-])c(F)c1.
What is the InChIKey of ethyl 2-(4-azido-3-fluorophenyl)acetate?
The InChIKey is PNJKSZPMDPXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-2-16-10(15)6-7-3-4-9(13-14-12)8(11)5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-azido-3-fluorophenyl)acetate?
ethyl 2-(4-azido-3-fluorophenyl)acetate has a molecular weight of 223.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-azido-3-fluorophenyl)acetate is sourced from PubChem (CID 134996504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).