cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride

C20H15F2HfP — CID 21094906

IUPACcyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride
SMILES[C-]1=C(P(c2ccccc2)[c-]2ccc3ccccc32)C=CC1.[F-].[F-].[Hf+4]
InChIInChI=1S/C20H15P.2FH.Hf/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20;;;/h1-5,7-11,13-15H,6H2;2*1H;/q-2;;;+4/p-2
InChIKeyJAXLZACLIMTNFL-UHFFFAOYSA-L
MW502.80 g/mol
LogP-1.36
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride

cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride (PubChem CID 21094906) has the molecular formula C20H15F2HfP and a molecular weight of 502.80 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride
PubChem CID21094906
Molecular FormulaC20H15F2HfP
Molecular Weight502.80 g/mol
Exact Mass504.03
IUPAC Namecyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride
SMILES[C-]1=C(P(c2ccccc2)[c-]2ccc3ccccc32)C=CC1.[F-].[F-].[Hf+4]
InChIInChI=1S/C20H15P.2FH.Hf/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20;;;/h1-5,7-11,13-15H,6H2;2*1H;/q-2;;;+4/p-2
InChIKeyJAXLZACLIMTNFL-UHFFFAOYSA-L
XLogP-1.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.80
LogP ≤ 5-1.36
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-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride (CID 21094906) is cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride is [C-]1=C(P(c2ccccc2)[c-]2ccc3ccccc32)C=CC1.[F-].[F-].[Hf+4].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride?
The InChIKey is JAXLZACLIMTNFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H15P.2FH.Hf/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20;;;/h1-5,7-11,13-15H,6H2;2*1H;/q-2;;;+4/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride?
cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride has a molecular weight of 502.80 g/mol, XLogP of -1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-inden-1-id-1-yl-phenylphosphane;hafnium(4+);difluoride is sourced from PubChem (CID 21094906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).