2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene

C19H12F3N3O — CID 169325187

IUPAC2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)15-8-11-18(17(12-15)24-25-23)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKeyAVWZTDRALBLNOW-UHFFFAOYSA-N
MW355.32 g/mol
LogP7.11
Rot. Bonds4

About 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene

2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 169325187) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene
PubChem CID169325187
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene
SMILES[N-]=[N+]=Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)15-8-11-18(17(12-15)24-25-23)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKeyAVWZTDRALBLNOW-UHFFFAOYSA-N
XLogP7.11
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 57.11
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 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene 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 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene (CID 169325187) is 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene is [N-]=[N+]=Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is AVWZTDRALBLNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)15-8-11-18(17(12-15)24-25-23)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene?
2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 355.32 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 169325187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).