diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane

C16H11F9I+ — CID 87922282

IUPACdiphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.C4HF9/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-1(6)2(7,8)3(9,10)4(11,12)13/h1-10H;1H/q+1;
InChIKeyTZPDPYPMOSVWKK-UHFFFAOYSA-N
MW501.15 g/mol
LogP2.90
Rot. Bonds4

About diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane

diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane (PubChem CID 87922282) has the molecular formula C16H11F9I+ and a molecular weight of 501.15 g/mol. Its IUPAC name is diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane.

Molecular Properties

Compound Namediphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane
PubChem CID87922282
Molecular FormulaC16H11F9I+
Molecular Weight501.15 g/mol
Exact Mass500.98
IUPAC Namediphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.C4HF9/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-1(6)2(7,8)3(9,10)4(11,12)13/h1-10H;1H/q+1;
InChIKeyTZPDPYPMOSVWKK-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The IUPAC name of diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane (CID 87922282) is diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane.
What is the SMILES notation for diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The canonical SMILES for diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane is FC(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane?
The InChIKey is TZPDPYPMOSVWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.C4HF9/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-1(6)2(7,8)3(9,10)4(11,12)13/h1-10H;1H/q+1;.
What are the key properties of diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane?
diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane has a molecular weight of 501.15 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium;1,1,1,2,2,3,3,4,4-nonafluorobutane is sourced from PubChem (CID 87922282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).