acetonitrile;hydron;hexafluorophosphate

C2H4F6NP — CID 162334933

IUPACacetonitrile;hydron;hexafluorophosphate
SMILESCC#N.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C2H3N.F6P/c1-2-3;1-7(2,3,4,5)6/h1H3;/q;-1/p+1
InChIKeyFMZOEGSJNLSPLW-UHFFFAOYSA-O
MW187.02 g/mol
LogP4.02
Rot. Bonds

About acetonitrile;hydron;hexafluorophosphate

acetonitrile;hydron;hexafluorophosphate (PubChem CID 162334933) has the molecular formula C2H4F6NP and a molecular weight of 187.02 g/mol. Its IUPAC name is acetonitrile;hydron;hexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;hydron;hexafluorophosphate
PubChem CID162334933
Molecular FormulaC2H4F6NP
Molecular Weight187.02 g/mol
Exact Mass187.00
IUPAC Nameacetonitrile;hydron;hexafluorophosphate
SMILESCC#N.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C2H3N.F6P/c1-2-3;1-7(2,3,4,5)6/h1H3;/q;-1/p+1
InChIKeyFMZOEGSJNLSPLW-UHFFFAOYSA-O
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.02
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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acetonitrile;triacontahydrate
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tris(acetonitrile);bis(hexafluoroantimony(1-));hydron
CID 174993579
potassium;acetonitrile;hydride;hydron
CID 174894698
bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate
CID 139183199
tris(acetonitrile);zirconium
CID 159931297
acetonitrile;alumane
CID 174397920
acetonitrile;molecular nitrogen
CID 142623537
tris(acetonitrile);chromium
CID 160909173
acetonitrile;titanium(4+);tetrachloride
CID 174780013
magnesium;acetonitrile;hydride
CID 175350434
acetonitrile;platinum;hydrochloride
CID 88688012

Frequently Asked Questions

What is the IUPAC name of acetonitrile;hydron;hexafluorophosphate?
The IUPAC name of acetonitrile;hydron;hexafluorophosphate (CID 162334933) is acetonitrile;hydron;hexafluorophosphate.
What is the SMILES notation for acetonitrile;hydron;hexafluorophosphate?
The canonical SMILES for acetonitrile;hydron;hexafluorophosphate is CC#N.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of acetonitrile;hydron;hexafluorophosphate?
The InChIKey is FMZOEGSJNLSPLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N.F6P/c1-2-3;1-7(2,3,4,5)6/h1H3;/q;-1/p+1.
What are the key properties of acetonitrile;hydron;hexafluorophosphate?
acetonitrile;hydron;hexafluorophosphate has a molecular weight of 187.02 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;hydron;hexafluorophosphate is sourced from PubChem (CID 162334933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).