acetonitrilium;hexafluoroarsenic(1-)

C2H4AsF6N — CID 139168472

IUPACacetonitrilium;hexafluoroarsenic(1-)
SMILESCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C2H3N.AsF6/c1-2-3;2-1(3,4,5,6)7/h1H3;/q;-1/p+1
InChIKeyULJFHBOLKPYOEN-UHFFFAOYSA-O
MW230.97 g/mol
LogP0.92
Rot. Bonds

About acetonitrilium;hexafluoroarsenic(1-)

acetonitrilium;hexafluoroarsenic(1-) (PubChem CID 139168472) has the molecular formula C2H4AsF6N and a molecular weight of 230.97 g/mol. Its IUPAC name is acetonitrilium;hexafluoroarsenic(1-).

Molecular Properties

Compound Nameacetonitrilium;hexafluoroarsenic(1-)
PubChem CID139168472
Molecular FormulaC2H4AsF6N
Molecular Weight230.97 g/mol
Exact Mass230.95
IUPAC Nameacetonitrilium;hexafluoroarsenic(1-)
SMILESCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C2H3N.AsF6/c1-2-3;2-1(3,4,5,6)7/h1H3;/q;-1/p+1
InChIKeyULJFHBOLKPYOEN-UHFFFAOYSA-O
XLogP0.92
TPSA23.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.97
LogP ≤ 50.92
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 acetonitrilium;hexafluoroarsenic(1-)?
The IUPAC name of acetonitrilium;hexafluoroarsenic(1-) (CID 139168472) is acetonitrilium;hexafluoroarsenic(1-).
What is the SMILES notation for acetonitrilium;hexafluoroarsenic(1-)?
The canonical SMILES for acetonitrilium;hexafluoroarsenic(1-) is CC#[NH+].F[As-](F)(F)(F)(F)F.
What is the InChIKey of acetonitrilium;hexafluoroarsenic(1-)?
The InChIKey is ULJFHBOLKPYOEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N.AsF6/c1-2-3;2-1(3,4,5,6)7/h1H3;/q;-1/p+1.
What are the key properties of acetonitrilium;hexafluoroarsenic(1-)?
acetonitrilium;hexafluoroarsenic(1-) has a molecular weight of 230.97 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrilium;hexafluoroarsenic(1-) is sourced from PubChem (CID 139168472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).