barium(2+) dihexafluorophosphate

BaF12P2 — CID 14389160

IUPACbarium(2+) dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ba+2]
InChIInChI=1S/Ba.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1
InChIKeyRMXMOVRSSSDKGW-UHFFFAOYSA-N
MW427.25 g/mol
LogP6.38
Rot. Bonds

About barium(2+) dihexafluorophosphate

barium(2+) dihexafluorophosphate (PubChem CID 14389160) has the molecular formula BaF12P2 and a molecular weight of 427.25 g/mol. Its IUPAC name is barium(2+) dihexafluorophosphate.

Molecular Properties

Compound Namebarium(2+) dihexafluorophosphate
PubChem CID14389160
Molecular FormulaBaF12P2
Molecular Weight427.25 g/mol
Exact Mass427.83
IUPAC Namebarium(2+) dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ba+2]
InChIInChI=1S/Ba.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1
InChIKeyRMXMOVRSSSDKGW-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.25
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of barium(2+) dihexafluorophosphate?
The IUPAC name of barium(2+) dihexafluorophosphate (CID 14389160) is barium(2+) dihexafluorophosphate.
What is the SMILES notation for barium(2+) dihexafluorophosphate?
The canonical SMILES for barium(2+) dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ba+2].
What is the InChIKey of barium(2+) dihexafluorophosphate?
The InChIKey is RMXMOVRSSSDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1.
What are the key properties of barium(2+) dihexafluorophosphate?
barium(2+) dihexafluorophosphate has a molecular weight of 427.25 g/mol, XLogP of 6.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+) dihexafluorophosphate is sourced from PubChem (CID 14389160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).