chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride

C20H30CrF2 — CID 159164432

IUPACchromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride
SMILESCC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Cr+4].[F-].[F-]
InChIInChI=1S/2C10H15.Cr.2FH/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4-7H,8H2,1-3H3;;2*1H/q2*-1;+4;;/p-2
InChIKeyKKWWDUJUOUPNRX-UHFFFAOYSA-L
MW360.45 g/mol
LogP-0.01
Rot. Bonds2

About chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride

chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride (PubChem CID 159164432) has the molecular formula C20H30CrF2 and a molecular weight of 360.45 g/mol. Its IUPAC name is chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride.

Molecular Properties

Compound Namechromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride
PubChem CID159164432
Molecular FormulaC20H30CrF2
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Namechromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride
SMILESCC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Cr+4].[F-].[F-]
InChIInChI=1S/2C10H15.Cr.2FH/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4-7H,8H2,1-3H3;;2*1H/q2*-1;+4;;/p-2
InChIKeyKKWWDUJUOUPNRX-UHFFFAOYSA-L
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride?
The IUPAC name of chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride (CID 159164432) is chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride.
What is the SMILES notation for chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride?
The canonical SMILES for chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride is CC(C)(C)C[c-]1cccc1.CC(C)(C)C[c-]1cccc1.[Cr+4].[F-].[F-].
What is the InChIKey of chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride?
The InChIKey is KKWWDUJUOUPNRX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.Cr.2FH/c2*1-10(2,3)8-9-6-4-5-7-9;;;/h2*4-7H,8H2,1-3H3;;2*1H/q2*-1;+4;;/p-2.
What are the key properties of chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride?
chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride has a molecular weight of 360.45 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(4+);bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);difluoride is sourced from PubChem (CID 159164432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).