butanenitrilium;hexafluoroarsenic(1-)

C4H8AsF6N — CID 139168475

IUPACbutanenitrilium;hexafluoroarsenic(1-)
SMILESCCCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C4H7N.AsF6/c1-2-3-4-5;2-1(3,4,5,6)7/h2-3H2,1H3;/q;-1/p+1
InChIKeyOHVOFQFUBJLTSH-UHFFFAOYSA-O
MW259.02 g/mol
LogP1.70
Rot. Bonds1

About butanenitrilium;hexafluoroarsenic(1-)

butanenitrilium;hexafluoroarsenic(1-) (PubChem CID 139168475) has the molecular formula C4H8AsF6N and a molecular weight of 259.02 g/mol. Its IUPAC name is butanenitrilium;hexafluoroarsenic(1-).

Molecular Properties

Compound Namebutanenitrilium;hexafluoroarsenic(1-)
PubChem CID139168475
Molecular FormulaC4H8AsF6N
Molecular Weight259.02 g/mol
Exact Mass258.98
IUPAC Namebutanenitrilium;hexafluoroarsenic(1-)
SMILESCCCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C4H7N.AsF6/c1-2-3-4-5;2-1(3,4,5,6)7/h2-3H2,1H3;/q;-1/p+1
InChIKeyOHVOFQFUBJLTSH-UHFFFAOYSA-O
XLogP1.70
TPSA23.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.02
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 butanenitrilium;hexafluoroarsenic(1-)?
The IUPAC name of butanenitrilium;hexafluoroarsenic(1-) (CID 139168475) is butanenitrilium;hexafluoroarsenic(1-).
What is the SMILES notation for butanenitrilium;hexafluoroarsenic(1-)?
The canonical SMILES for butanenitrilium;hexafluoroarsenic(1-) is CCCC#[NH+].F[As-](F)(F)(F)(F)F.
What is the InChIKey of butanenitrilium;hexafluoroarsenic(1-)?
The InChIKey is OHVOFQFUBJLTSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N.AsF6/c1-2-3-4-5;2-1(3,4,5,6)7/h2-3H2,1H3;/q;-1/p+1.
What are the key properties of butanenitrilium;hexafluoroarsenic(1-)?
butanenitrilium;hexafluoroarsenic(1-) has a molecular weight of 259.02 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butanenitrilium;hexafluoroarsenic(1-) is sourced from PubChem (CID 139168475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).