diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane

C6H8BF5N2O2 — CID 141014578

IUPACdiazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane
SMILES[NH4+].[NH4+].[O-]B([O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6BF5O2.2H3N/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h;2*1H3/q-2;;/p+2
InChIKeyBULAZTGREHQGQS-UHFFFAOYSA-P
MW245.94 g/mol
LogP-0.45
Rot. Bonds1

About diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane

diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 141014578) has the molecular formula C6H8BF5N2O2 and a molecular weight of 245.94 g/mol. Its IUPAC name is diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Namediazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID141014578
Molecular FormulaC6H8BF5N2O2
Molecular Weight245.94 g/mol
Exact Mass246.06
IUPAC Namediazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane
SMILES[NH4+].[NH4+].[O-]B([O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6BF5O2.2H3N/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h;2*1H3/q-2;;/p+2
InChIKeyBULAZTGREHQGQS-UHFFFAOYSA-P
XLogP-0.45
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane (CID 141014578) is diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane is [NH4+].[NH4+].[O-]B([O-])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is BULAZTGREHQGQS-UHFFFAOYSA-P. The full InChI is InChI=1S/C6BF5O2.2H3N/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h;2*1H3/q-2;;/p+2.
What are the key properties of diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane?
diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 245.94 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;dioxido-(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 141014578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).