sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

C5BF8N2Na — CID 89251127

IUPACsodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](F)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C5BF8N2.Na/c7-3(8,5(11,12)13)4(9,10)6(14,1-15)2-16;/q-1;+1
InChIKeyMRPNIJWRMMSHJJ-UHFFFAOYSA-N
MW273.86 g/mol
LogP-0.60
Rot. Bonds2

About sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (PubChem CID 89251127) has the molecular formula C5BF8N2Na and a molecular weight of 273.86 g/mol. Its IUPAC name is sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.

Molecular Properties

Compound Namesodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
PubChem CID89251127
Molecular FormulaC5BF8N2Na
Molecular Weight273.86 g/mol
Exact Mass273.99
IUPAC Namesodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](F)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C5BF8N2.Na/c7-3(8,5(11,12)13)4(9,10)6(14,1-15)2-16;/q-1;+1
InChIKeyMRPNIJWRMMSHJJ-UHFFFAOYSA-N
XLogP-0.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.86
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The IUPAC name of sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (CID 89251127) is sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.
What is the SMILES notation for sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The canonical SMILES for sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is N#C[B-](F)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The InChIKey is MRPNIJWRMMSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BF8N2.Na/c7-3(8,5(11,12)13)4(9,10)6(14,1-15)2-16;/q-1;+1.
What are the key properties of sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide has a molecular weight of 273.86 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is sourced from PubChem (CID 89251127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).