[cyclohexyl(phenyl)methylidene]hafnium(2+)

C13H16Hf+2 — CID 159740284

IUPAC[cyclohexyl(phenyl)methylidene]hafnium(2+)
SMILES[Hf+2]=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-10H2;/q;+2
InChIKeyCDTDEUZFVQONSX-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.33
Rot. Bonds2

About [cyclohexyl(phenyl)methylidene]hafnium(2+)

[cyclohexyl(phenyl)methylidene]hafnium(2+) (PubChem CID 159740284) has the molecular formula C13H16Hf+2 and a molecular weight of 350.76 g/mol. Its IUPAC name is [cyclohexyl(phenyl)methylidene]hafnium(2+).

Molecular Properties

Compound Name[cyclohexyl(phenyl)methylidene]hafnium(2+)
PubChem CID159740284
Molecular FormulaC13H16Hf+2
Molecular Weight350.76 g/mol
Exact Mass352.07
IUPAC Name[cyclohexyl(phenyl)methylidene]hafnium(2+)
SMILES[Hf+2]=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-10H2;/q;+2
InChIKeyCDTDEUZFVQONSX-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
CID 74219724
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CID 70533648
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CID 544018
methyl (E)-2-cyclohexyl-3-phenylbut-2-enoate
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CID 14090314

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(phenyl)methylidene]hafnium(2+)?
The IUPAC name of [cyclohexyl(phenyl)methylidene]hafnium(2+) (CID 159740284) is [cyclohexyl(phenyl)methylidene]hafnium(2+).
What is the SMILES notation for [cyclohexyl(phenyl)methylidene]hafnium(2+)?
The canonical SMILES for [cyclohexyl(phenyl)methylidene]hafnium(2+) is [Hf+2]=C(c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(phenyl)methylidene]hafnium(2+)?
The InChIKey is CDTDEUZFVQONSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.Hf/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-4,7-8,13H,2,5-6,9-10H2;/q;+2.
What are the key properties of [cyclohexyl(phenyl)methylidene]hafnium(2+)?
[cyclohexyl(phenyl)methylidene]hafnium(2+) has a molecular weight of 350.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(phenyl)methylidene]hafnium(2+) is sourced from PubChem (CID 159740284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).