[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride

C38H24Cl2F4O4P2Ru — CID 51001061

About [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride

[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride (PubChem CID 51001061) has the molecular formula C38H24Cl2F4O4P2Ru and a molecular weight of 854.52 g/mol. Its IUPAC name is [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride.

Molecular Properties

• Compound Name: [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride
• PubChem CID: 51001061
• Molecular Formula: C38H24Cl2F4O4P2Ru
• Molecular Weight: 854.52 g/mol
• Exact Mass: 853.95
• IUPAC Name: [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride
• SMILES: FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/C38H24F4O4P2.2ClH.Ru/c39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;;;/h1-24H;2*1H;/q;;;+2/p-2
• InChIKey: OFQRYOFTYLOBQH-UHFFFAOYSA-L
• XLogP: 1.52
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	854.52
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride?

The IUPAC name of [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride (CID 51001061) is [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride.

What is the SMILES notation for [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride?

The canonical SMILES for [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride is FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Cl-].[Cl-].[Ru+2].

What is the InChIKey of [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride?

The InChIKey is OFQRYOFTYLOBQH-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H24F4O4P2.2ClH.Ru/c39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;;;/h1-24H;2*1H;/q;;;+2/p-2.

What are the key properties of [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride?

[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride has a molecular weight of 854.52 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride is sourced from PubChem (CID 51001061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).