2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

C19H13BF2N2Te — CID 166636430

IUPAC2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
SMILESF[B-]1(F)n2cccc2C(c2ccc(-c3ccc[te]3)cc2)=C2C=CC=[N+]21
InChIInChI=1S/C19H13BF2N2Te/c21-20(22)23-11-1-4-16(23)19(17-5-2-12-24(17)20)15-9-7-14(8-10-15)18-6-3-13-25-18/h1-13H
InChIKeyACZCCSSTNZGURE-UHFFFAOYSA-N
MW445.74 g/mol
LogP3.86
Rot. Bonds2

About 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene (PubChem CID 166636430) has the molecular formula C19H13BF2N2Te and a molecular weight of 445.74 g/mol. Its IUPAC name is 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
PubChem CID166636430
Molecular FormulaC19H13BF2N2Te
Molecular Weight445.74 g/mol
Exact Mass448.02
IUPAC Name2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
SMILESF[B-]1(F)n2cccc2C(c2ccc(-c3ccc[te]3)cc2)=C2C=CC=[N+]21
InChIInChI=1S/C19H13BF2N2Te/c21-20(22)23-11-1-4-16(23)19(17-5-2-12-24(17)20)15-9-7-14(8-10-15)18-6-3-13-25-18/h1-13H
InChIKeyACZCCSSTNZGURE-UHFFFAOYSA-N
XLogP3.86
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The IUPAC name of 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene (CID 166636430) is 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene.
What is the SMILES notation for 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The canonical SMILES for 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene is F[B-]1(F)n2cccc2C(c2ccc(-c3ccc[te]3)cc2)=C2C=CC=[N+]21.
What is the InChIKey of 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
The InChIKey is ACZCCSSTNZGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BF2N2Te/c21-20(22)23-11-1-4-16(23)19(17-5-2-12-24(17)20)15-9-7-14(8-10-15)18-6-3-13-25-18/h1-13H.
What are the key properties of 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene?
2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene has a molecular weight of 445.74 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-8-(4-tellurophen-2-ylphenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene is sourced from PubChem (CID 166636430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).