1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole

C13H9ClFN3O — CID 973911

IUPAC1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole
SMILESFc1cccc(Cl)c1COn1nnc2ccccc21
InChIInChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-19-18-13-7-2-1-6-12(13)16-17-18/h1-7H,8H2
InChIKeySQPMZAGAGOBMKH-UHFFFAOYSA-N
MW277.69 g/mol
LogP2.85
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole

1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole (PubChem CID 973911) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole
PubChem CID973911
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole
SMILESFc1cccc(Cl)c1COn1nnc2ccccc21
InChIInChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-19-18-13-7-2-1-6-12(13)16-17-18/h1-7H,8H2
InChIKeySQPMZAGAGOBMKH-UHFFFAOYSA-N
XLogP2.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole 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-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole (CID 973911) is 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole is Fc1cccc(Cl)c1COn1nnc2ccccc21.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole?
The InChIKey is SQPMZAGAGOBMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-19-18-13-7-2-1-6-12(13)16-17-18/h1-7H,8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole?
1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole has a molecular weight of 277.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methoxy]benzotriazole is sourced from PubChem (CID 973911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).