rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide

C5BF5N3Rb — CID 89251934

IUPACrubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESN#C[B-](C#N)(C#N)C(F)(F)C(F)(F)F.[Rb+]
InChIInChI=1S/C5BF5N3.Rb/c7-4(8,5(9,10)11)6(1-12,2-13)3-14;/q-1;+1
InChIKeyISIKKKDGWOLUPF-UHFFFAOYSA-N
MW293.35 g/mol
LogP-1.64
Rot. Bonds1

About rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide

rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 89251934) has the molecular formula C5BF5N3Rb and a molecular weight of 293.35 g/mol. Its IUPAC name is rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Namerubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID89251934
Molecular FormulaC5BF5N3Rb
Molecular Weight293.35 g/mol
Exact Mass292.92
IUPAC Namerubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESN#C[B-](C#N)(C#N)C(F)(F)C(F)(F)F.[Rb+]
InChIInChI=1S/C5BF5N3.Rb/c7-4(8,5(9,10)11)6(1-12,2-13)3-14;/q-1;+1
InChIKeyISIKKKDGWOLUPF-UHFFFAOYSA-N
XLogP-1.64
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide (CID 89251934) is rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide is N#C[B-](C#N)(C#N)C(F)(F)C(F)(F)F.[Rb+].
What is the InChIKey of rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is ISIKKKDGWOLUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BF5N3.Rb/c7-4(8,5(9,10)11)6(1-12,2-13)3-14;/q-1;+1.
What are the key properties of rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide?
rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 293.35 g/mol, XLogP of -1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 89251934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).