cesium cyano-difluoro-(4-fluorophenyl)boranuide

C7H4BCsF3N — CID 89251521

IUPACcesium cyano-difluoro-(4-fluorophenyl)boranuide
SMILESN#C[B-](F)(F)c1ccc(F)cc1.[Cs+]
InChIInChI=1S/C7H4BF3N.Cs/c9-7-3-1-6(2-4-7)8(10,11)5-12;/h1-4H;/q-1;+1
InChIKeyLNDMHGHVXVXNIK-UHFFFAOYSA-N
MW302.83 g/mol
LogP-1.52
Rot. Bonds1

About cesium cyano-difluoro-(4-fluorophenyl)boranuide

cesium cyano-difluoro-(4-fluorophenyl)boranuide (PubChem CID 89251521) has the molecular formula C7H4BCsF3N and a molecular weight of 302.83 g/mol. Its IUPAC name is cesium cyano-difluoro-(4-fluorophenyl)boranuide.

Molecular Properties

Compound Namecesium cyano-difluoro-(4-fluorophenyl)boranuide
PubChem CID89251521
Molecular FormulaC7H4BCsF3N
Molecular Weight302.83 g/mol
Exact Mass302.94
IUPAC Namecesium cyano-difluoro-(4-fluorophenyl)boranuide
SMILESN#C[B-](F)(F)c1ccc(F)cc1.[Cs+]
InChIInChI=1S/C7H4BF3N.Cs/c9-7-3-1-6(2-4-7)8(10,11)5-12;/h1-4H;/q-1;+1
InChIKeyLNDMHGHVXVXNIK-UHFFFAOYSA-N
XLogP-1.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 5-1.52
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 cesium cyano-difluoro-(4-fluorophenyl)boranuide?
The IUPAC name of cesium cyano-difluoro-(4-fluorophenyl)boranuide (CID 89251521) is cesium cyano-difluoro-(4-fluorophenyl)boranuide.
What is the SMILES notation for cesium cyano-difluoro-(4-fluorophenyl)boranuide?
The canonical SMILES for cesium cyano-difluoro-(4-fluorophenyl)boranuide is N#C[B-](F)(F)c1ccc(F)cc1.[Cs+].
What is the InChIKey of cesium cyano-difluoro-(4-fluorophenyl)boranuide?
The InChIKey is LNDMHGHVXVXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF3N.Cs/c9-7-3-1-6(2-4-7)8(10,11)5-12;/h1-4H;/q-1;+1.
What are the key properties of cesium cyano-difluoro-(4-fluorophenyl)boranuide?
cesium cyano-difluoro-(4-fluorophenyl)boranuide has a molecular weight of 302.83 g/mol, XLogP of -1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium cyano-difluoro-(4-fluorophenyl)boranuide is sourced from PubChem (CID 89251521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).