diphenyliodanium hexafluorophosphate

C12H10F6IP — CID 2737136

IUPACdiphenyliodanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1
InChIKeyDSSRLRJACJENEU-UHFFFAOYSA-N
MW426.08 g/mol
LogP3.20
Rot. Bonds2

About diphenyliodanium hexafluorophosphate

diphenyliodanium hexafluorophosphate (PubChem CID 2737136) has the molecular formula C12H10F6IP and a molecular weight of 426.08 g/mol. Its IUPAC name is diphenyliodanium hexafluorophosphate.

Molecular Properties

Compound Namediphenyliodanium hexafluorophosphate
PubChem CID2737136
Molecular FormulaC12H10F6IP
Molecular Weight426.08 g/mol
Exact Mass425.95
IUPAC Namediphenyliodanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1
InChIKeyDSSRLRJACJENEU-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.08
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyliodanium hexafluorophosphate?
The IUPAC name of diphenyliodanium hexafluorophosphate (CID 2737136) is diphenyliodanium hexafluorophosphate.
What is the SMILES notation for diphenyliodanium hexafluorophosphate?
The canonical SMILES for diphenyliodanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium hexafluorophosphate?
The InChIKey is DSSRLRJACJENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1.
What are the key properties of diphenyliodanium hexafluorophosphate?
diphenyliodanium hexafluorophosphate has a molecular weight of 426.08 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium hexafluorophosphate is sourced from PubChem (CID 2737136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).