cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium

C25H28Cl2Hf-2 — CID 159440234

IUPACcyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium
SMILESCC(C)C(Cl)(Cl)C(C)C.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C7H14Cl2.C5H5.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2)7(8,9)6(3)4;1-2-4-5-3-1;/h1-5,7-8H,9H2;5-6H,1-4H3;1-5H;/q-1;;-1;
InChIKeyXWGFNAQWMHIQQR-UHFFFAOYSA-N
MW577.90 g/mol
LogP7.93
Rot. Bonds2

About cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium

cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium (PubChem CID 159440234) has the molecular formula C25H28Cl2Hf-2 and a molecular weight of 577.90 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium
PubChem CID159440234
Molecular FormulaC25H28Cl2Hf-2
Molecular Weight577.90 g/mol
Exact Mass578.10
IUPAC Namecyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium
SMILESCC(C)C(Cl)(Cl)C(C)C.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C7H14Cl2.C5H5.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2)7(8,9)6(3)4;1-2-4-5-3-1;/h1-5,7-8H,9H2;5-6H,1-4H3;1-5H;/q-1;;-1;
InChIKeyXWGFNAQWMHIQQR-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.90
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159626377
CID 159626377
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CID 160913737
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CID 19698863
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CID 173274804
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
CID 154493054
CID 154493054
1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 158910709
CID 172693702
CID 172693702

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium?
The IUPAC name of cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium (CID 159440234) is cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium.
What is the SMILES notation for cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium?
The canonical SMILES for cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium is CC(C)C(Cl)(Cl)C(C)C.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium?
The InChIKey is XWGFNAQWMHIQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C7H14Cl2.C5H5.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5(2)7(8,9)6(3)4;1-2-4-5-3-1;/h1-5,7-8H,9H2;5-6H,1-4H3;1-5H;/q-1;;-1;.
What are the key properties of cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium?
cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium has a molecular weight of 577.90 g/mol, XLogP of 7.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium is sourced from PubChem (CID 159440234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).