1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene

C12H6ClF2N3O — CID 169325118

IUPAC1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene
SMILES[N-]=[N+]=Nc1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C12H6ClF2N3O/c13-8-2-1-3-11(12(8)15)19-10-5-4-7(17-18-16)6-9(10)14/h1-6H
InChIKeyHJBZXJKAQSBCAK-UHFFFAOYSA-N
MW281.65 g/mol
LogP5.35
Rot. Bonds3

About 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene

1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene (PubChem CID 169325118) has the molecular formula C12H6ClF2N3O and a molecular weight of 281.65 g/mol. Its IUPAC name is 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene
PubChem CID169325118
Molecular FormulaC12H6ClF2N3O
Molecular Weight281.65 g/mol
Exact Mass281.02
IUPAC Name1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene
SMILES[N-]=[N+]=Nc1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C12H6ClF2N3O/c13-8-2-1-3-11(12(8)15)19-10-5-4-7(17-18-16)6-9(10)14/h1-6H
InChIKeyHJBZXJKAQSBCAK-UHFFFAOYSA-N
XLogP5.35
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.65
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene 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 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene?
The IUPAC name of 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene (CID 169325118) is 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene is [N-]=[N+]=Nc1ccc(Oc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene?
The InChIKey is HJBZXJKAQSBCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O/c13-8-2-1-3-11(12(8)15)19-10-5-4-7(17-18-16)6-9(10)14/h1-6H.
What are the key properties of 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene?
1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene has a molecular weight of 281.65 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene is sourced from PubChem (CID 169325118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).