lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide

C8BF6LiN2 — CID 89251187

IUPAClithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESN#C[B-](F)(C#N)c1c(F)c(F)c(F)c(F)c1F.[Li+]
InChIInChI=1S/C8BF6N2.Li/c10-4-3(9(15,1-16)2-17)5(11)7(13)8(14)6(4)12;/q-1;+1
InChIKeyDXTWTEHCMKFGQQ-UHFFFAOYSA-N
MW255.84 g/mol
LogP-1.37
Rot. Bonds1

About lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide

lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 89251187) has the molecular formula C8BF6LiN2 and a molecular weight of 255.84 g/mol. Its IUPAC name is lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namelithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID89251187
Molecular FormulaC8BF6LiN2
Molecular Weight255.84 g/mol
Exact Mass256.02
IUPAC Namelithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESN#C[B-](F)(C#N)c1c(F)c(F)c(F)c(F)c1F.[Li+]
InChIInChI=1S/C8BF6N2.Li/c10-4-3(9(15,1-16)2-17)5(11)7(13)8(14)6(4)12;/q-1;+1
InChIKeyDXTWTEHCMKFGQQ-UHFFFAOYSA-N
XLogP-1.37
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.84
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
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'}

Analyze lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide (CID 89251187) is lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide is N#C[B-](F)(C#N)c1c(F)c(F)c(F)c(F)c1F.[Li+].
What is the InChIKey of lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is DXTWTEHCMKFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BF6N2.Li/c10-4-3(9(15,1-16)2-17)5(11)7(13)8(14)6(4)12;/q-1;+1.
What are the key properties of lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide?
lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 255.84 g/mol, XLogP of -1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 89251187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).