trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide

C10H9BF3NOTe — CID 139049869

IUPACtrifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
SMILESCc1cc(-c2ccccc2)[te][n+]1O[B-](F)(F)F
InChIInChI=1S/C10H9BF3NOTe/c1-8-7-10(9-5-3-2-4-6-9)17-15(8)16-11(12,13)14/h2-7H,1H3
InChIKeyWACLJABIDPEUDV-UHFFFAOYSA-N
MW354.59 g/mol
LogP1.78
Rot. Bonds3

About trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide

trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide (PubChem CID 139049869) has the molecular formula C10H9BF3NOTe and a molecular weight of 354.59 g/mol. Its IUPAC name is trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide.

Molecular Properties

Compound Nametrifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
PubChem CID139049869
Molecular FormulaC10H9BF3NOTe
Molecular Weight354.59 g/mol
Exact Mass356.98
IUPAC Nametrifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
SMILESCc1cc(-c2ccccc2)[te][n+]1O[B-](F)(F)F
InChIInChI=1S/C10H9BF3NOTe/c1-8-7-10(9-5-3-2-4-6-9)17-15(8)16-11(12,13)14/h2-7H,1H3
InChIKeyWACLJABIDPEUDV-UHFFFAOYSA-N
XLogP1.78
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-phenyl-1,2-tellurazole
CID 13159602
3-Methyl-5-phenyl-1,2-selenazole
CID 13224796
5-Phenyl-3-propyl-1,2-selenazole
CID 101221995
3-Methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium
CID 102274932
3-Methyl-5-phenyl-1,2-tellurazole 2-oxide
CID 129892009
3-Tert-butyl-5-phenyl-1,2-tellurazole
CID 135008605
(3-Methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy-triphenylboranuide
CID 139049870
3-Methyl-5-(3,5-di-t-butylphenyl)-1,2-tellurazole 2-oxide
CID 164888414
5-Phenyl-3-propan-2-yl-1,2-tellurazole
CID 101221996

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide?
The IUPAC name of trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide (CID 139049869) is trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide.
What is the SMILES notation for trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide?
The canonical SMILES for trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide is Cc1cc(-c2ccccc2)[te][n+]1O[B-](F)(F)F.
What is the InChIKey of trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide?
The InChIKey is WACLJABIDPEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BF3NOTe/c1-8-7-10(9-5-3-2-4-6-9)17-15(8)16-11(12,13)14/h2-7H,1H3.
What are the key properties of trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide?
trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide has a molecular weight of 354.59 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide is sourced from PubChem (CID 139049869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).