sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide

C5BF11NNa — CID 89251497

IUPACsodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
SMILESN#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C5BF11N.Na/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)1-18;/q-1;+1
InChIKeyMXJQUKBTVDOOCB-UHFFFAOYSA-N
MW316.84 g/mol
LogP0.44
Rot. Bonds3

About sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide

sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide (PubChem CID 89251497) has the molecular formula C5BF11NNa and a molecular weight of 316.84 g/mol. Its IUPAC name is sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide.

Molecular Properties

Compound Namesodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
PubChem CID89251497
Molecular FormulaC5BF11NNa
Molecular Weight316.84 g/mol
Exact Mass316.98
IUPAC Namesodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
SMILESN#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C5BF11N.Na/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)1-18;/q-1;+1
InChIKeyMXJQUKBTVDOOCB-UHFFFAOYSA-N
XLogP0.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The IUPAC name of sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide (CID 89251497) is sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide.
What is the SMILES notation for sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The canonical SMILES for sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide is N#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The InChIKey is MXJQUKBTVDOOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BF11N.Na/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)1-18;/q-1;+1.
What are the key properties of sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide has a molecular weight of 316.84 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide is sourced from PubChem (CID 89251497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).