trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide

C8H6BF3N2Se — CID 139264760

IUPACtrifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide
SMILESF[B-](F)(F)[n+]1nc(-c2ccccc2)c[se]1
InChIInChI=1S/C8H6BF3N2Se/c10-9(11,12)14-13-8(6-15-14)7-4-2-1-3-5-7/h1-6H
InChIKeyAZCXGPMATWNDDD-UHFFFAOYSA-N
MW276.92 g/mol
LogP1.29
Rot. Bonds2

About trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide

trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide (PubChem CID 139264760) has the molecular formula C8H6BF3N2Se and a molecular weight of 276.92 g/mol. Its IUPAC name is trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide
PubChem CID139264760
Molecular FormulaC8H6BF3N2Se
Molecular Weight276.92 g/mol
Exact Mass277.97
IUPAC Nametrifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide
SMILESF[B-](F)(F)[n+]1nc(-c2ccccc2)c[se]1
InChIInChI=1S/C8H6BF3N2Se/c10-9(11,12)14-13-8(6-15-14)7-4-2-1-3-5-7/h1-6H
InChIKeyAZCXGPMATWNDDD-UHFFFAOYSA-N
XLogP1.29
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.92
LogP ≤ 51.29
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

1,2,3-Selenadiazole, 4-phenyl-
CID 141232
4-(4-Fluorophenyl)-1,2,3-selenadiazole
CID 4415272
5-Methyl-4-phenylselenadiazole
CID 134897569
3-[4-(Trifluoromethyl)phenyl]-1,2-selenazole
CID 175333276
4-(4-Methylphenyl)-1,2,3-selenadiazole
CID 4918299
4-(2-Aminophenyl)-1,2,3-selenadiazole
CID 12031010
4-Phenyl-5-phenylselanylselenadiazole
CID 13078071
4-(4-Iodophenyl)-1,2,3-selenadiazole
CID 71326939
4-(1,2,3-Selenadiazol-4-yl)aniline
CID 71339856

Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide?
The IUPAC name of trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide (CID 139264760) is trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide.
What is the SMILES notation for trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide?
The canonical SMILES for trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide is F[B-](F)(F)[n+]1nc(-c2ccccc2)c[se]1.
What is the InChIKey of trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide?
The InChIKey is AZCXGPMATWNDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BF3N2Se/c10-9(11,12)14-13-8(6-15-14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide?
trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide has a molecular weight of 276.92 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide is sourced from PubChem (CID 139264760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).