propanenitrilium hexafluorophosphate

C3H6F6NP — CID 57347104

IUPACpropanenitrilium hexafluorophosphate
SMILESCCC#[NH+].F[P-](F)(F)(F)(F)F
InChIInChI=1S/C3H5N.F6P/c1-2-3-4;1-7(2,3,4,5)6/h2H2,1H3;/q;-1/p+1
InChIKeyUCJAHKIJEFLQMX-UHFFFAOYSA-O
MW201.05 g/mol
LogP2.55
Rot. Bonds

About propanenitrilium hexafluorophosphate

propanenitrilium hexafluorophosphate (PubChem CID 57347104) has the molecular formula C3H6F6NP and a molecular weight of 201.05 g/mol. Its IUPAC name is propanenitrilium hexafluorophosphate.

Molecular Properties

Compound Namepropanenitrilium hexafluorophosphate
PubChem CID57347104
Molecular FormulaC3H6F6NP
Molecular Weight201.05 g/mol
Exact Mass201.01
IUPAC Namepropanenitrilium hexafluorophosphate
SMILESCCC#[NH+].F[P-](F)(F)(F)(F)F
InChIInChI=1S/C3H5N.F6P/c1-2-3-4;1-7(2,3,4,5)6/h2H2,1H3;/q;-1/p+1
InChIKeyUCJAHKIJEFLQMX-UHFFFAOYSA-O
XLogP2.55
TPSA23.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propanenitrilium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propanenitrilium hexafluorophosphate?
The IUPAC name of propanenitrilium hexafluorophosphate (CID 57347104) is propanenitrilium hexafluorophosphate.
What is the SMILES notation for propanenitrilium hexafluorophosphate?
The canonical SMILES for propanenitrilium hexafluorophosphate is CCC#[NH+].F[P-](F)(F)(F)(F)F.
What is the InChIKey of propanenitrilium hexafluorophosphate?
The InChIKey is UCJAHKIJEFLQMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5N.F6P/c1-2-3-4;1-7(2,3,4,5)6/h2H2,1H3;/q;-1/p+1.
What are the key properties of propanenitrilium hexafluorophosphate?
propanenitrilium hexafluorophosphate has a molecular weight of 201.05 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propanenitrilium hexafluorophosphate is sourced from PubChem (CID 57347104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).