cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate

C15H13F6PRu — CID 71310592

IUPACcyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+2].c1cc[cH-]c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H5.F6P.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-8H;1-5H;;/q;2*-1;+2
InChIKeyYFBAHEXITAKPAP-UHFFFAOYSA-N
MW439.30 g/mol
LogP7.63
Rot. Bonds

About cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate

cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate (PubChem CID 71310592) has the molecular formula C15H13F6PRu and a molecular weight of 439.30 g/mol. Its IUPAC name is cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Namecyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate
PubChem CID71310592
Molecular FormulaC15H13F6PRu
Molecular Weight439.30 g/mol
Exact Mass439.97
IUPAC Namecyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Ru+2].c1cc[cH-]c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C5H5.F6P.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-8H;1-5H;;/q;2*-1;+2
InChIKeyYFBAHEXITAKPAP-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate?
The IUPAC name of cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate (CID 71310592) is cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate?
The canonical SMILES for cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Ru+2].c1cc[cH-]c1.c1ccc2ccccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate?
The InChIKey is YFBAHEXITAKPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C5H5.F6P.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-8H;1-5H;;/q;2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate?
cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate has a molecular weight of 439.30 g/mol, XLogP of 7.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;naphthalene;ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 71310592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).