hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride

C25H21F2HfP — CID 87830460

IUPAChafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[F-].[F-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C16H14P.C9H7.2FH.Hf/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;;;/h2-11,17H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLEUZURXVYZYQTK-UHFFFAOYSA-L
MW568.90 g/mol
LogP0.06
Rot. Bonds2

About hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride

hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride (PubChem CID 87830460) has the molecular formula C25H21F2HfP and a molecular weight of 568.90 g/mol. Its IUPAC name is hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride.

Molecular Properties

Compound Namehafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride
PubChem CID87830460
Molecular FormulaC25H21F2HfP
Molecular Weight568.90 g/mol
Exact Mass570.08
IUPAC Namehafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[F-].[F-].[Hf+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C16H14P.C9H7.2FH.Hf/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;;;/h2-11,17H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLEUZURXVYZYQTK-UHFFFAOYSA-L
XLogP0.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.90
LogP ≤ 50.06
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'}

Analyze hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride with MolForge

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Related Compounds

1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
CID 87828894
CID 172782986
CID 172782986
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511
(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);difluoride
CID 87829307
hafnium(4+);(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;2-methyl-4-phenyl-1H-inden-1-ide;difluoride
CID 87830362
CID 173309894
CID 173309894
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)
CID 87830483
9H-fluoren-9-ide;1H-inden-1-ide;propane;zirconium(3+)
CID 173317485
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
CID 173236911
CID 173309893
CID 173309893
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(4+);dichloride
CID 87829431

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride?
The IUPAC name of hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride (CID 87830460) is hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride.
What is the SMILES notation for hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride?
The canonical SMILES for hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride is Cc1[cH-]c2ccccc2c1Pc1ccccc1.[F-].[F-].[Hf+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride?
The InChIKey is LEUZURXVYZYQTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14P.C9H7.2FH.Hf/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-5-9-7-3-6-8(9)4-1;;;/h2-11,17H,1H3;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride?
hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride has a molecular weight of 568.90 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;difluoride is sourced from PubChem (CID 87830460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).