calcium dihexafluorophosphate

CaF12P2 — CID 14389155

IUPACcalcium dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ca+2]
InChIInChI=1S/Ca.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1
InChIKeyVPFKKINWFYVKSM-UHFFFAOYSA-N
MW330.00 g/mol
LogP6.38
Rot. Bonds

About calcium dihexafluorophosphate

calcium dihexafluorophosphate (PubChem CID 14389155) has the molecular formula CaF12P2 and a molecular weight of 330.00 g/mol. Its IUPAC name is calcium dihexafluorophosphate.

Molecular Properties

Compound Namecalcium dihexafluorophosphate
PubChem CID14389155
Molecular FormulaCaF12P2
Molecular Weight330.00 g/mol
Exact Mass329.89
IUPAC Namecalcium dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ca+2]
InChIInChI=1S/Ca.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1
InChIKeyVPFKKINWFYVKSM-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 ≤ 500330.00
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 calcium dihexafluorophosphate?
The IUPAC name of calcium dihexafluorophosphate (CID 14389155) is calcium dihexafluorophosphate.
What is the SMILES notation for calcium dihexafluorophosphate?
The canonical SMILES for calcium dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ca+2].
What is the InChIKey of calcium dihexafluorophosphate?
The InChIKey is VPFKKINWFYVKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2F6P/c;2*1-7(2,3,4,5)6/q+2;2*-1.
What are the key properties of calcium dihexafluorophosphate?
calcium dihexafluorophosphate has a molecular weight of 330.00 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 calcium dihexafluorophosphate is sourced from PubChem (CID 14389155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).