hexafluoroarsenic(1-);propanenitrilium

C3H6AsF6N — CID 139168474

IUPAChexafluoroarsenic(1-);propanenitrilium
SMILESCCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C3H5N.AsF6/c1-2-3-4;2-1(3,4,5,6)7/h2H2,1H3;/q;-1/p+1
InChIKeyBAQOGRLBXQYCDU-UHFFFAOYSA-O
MW245.00 g/mol
LogP1.31
Rot. Bonds

About hexafluoroarsenic(1-);propanenitrilium

hexafluoroarsenic(1-);propanenitrilium (PubChem CID 139168474) has the molecular formula C3H6AsF6N and a molecular weight of 245.00 g/mol. Its IUPAC name is hexafluoroarsenic(1-);propanenitrilium.

Molecular Properties

Compound Namehexafluoroarsenic(1-);propanenitrilium
PubChem CID139168474
Molecular FormulaC3H6AsF6N
Molecular Weight245.00 g/mol
Exact Mass244.96
IUPAC Namehexafluoroarsenic(1-);propanenitrilium
SMILESCCC#[NH+].F[As-](F)(F)(F)(F)F
InChIInChI=1S/C3H5N.AsF6/c1-2-3-4;2-1(3,4,5,6)7/h2H2,1H3;/q;-1/p+1
InChIKeyBAQOGRLBXQYCDU-UHFFFAOYSA-O
XLogP1.31
TPSA23.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.00
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Acetonitrilium;hexafluoroarsenic(1-)
CID 139168472
PrCNHAsF6
CID 139168475
Propanenitrilium hexafluorophosphate
CID 57347104

Frequently Asked Questions

What is the IUPAC name of hexafluoroarsenic(1-);propanenitrilium?
The IUPAC name of hexafluoroarsenic(1-);propanenitrilium (CID 139168474) is hexafluoroarsenic(1-);propanenitrilium.
What is the SMILES notation for hexafluoroarsenic(1-);propanenitrilium?
The canonical SMILES for hexafluoroarsenic(1-);propanenitrilium is CCC#[NH+].F[As-](F)(F)(F)(F)F.
What is the InChIKey of hexafluoroarsenic(1-);propanenitrilium?
The InChIKey is BAQOGRLBXQYCDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5N.AsF6/c1-2-3-4;2-1(3,4,5,6)7/h2H2,1H3;/q;-1/p+1.
What are the key properties of hexafluoroarsenic(1-);propanenitrilium?
hexafluoroarsenic(1-);propanenitrilium has a molecular weight of 245.00 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluoroarsenic(1-);propanenitrilium is sourced from PubChem (CID 139168474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).