cycloocta-1,5-diene;fluorophosphonic acid;rhodium

C8H24F6O18P6Rh — CID 173081848

IUPACcycloocta-1,5-diene;fluorophosphonic acid;rhodium
SMILESC1=CCCC=CCC1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.[Rh]
InChIInChI=1S/C8H12.6FH2O3P.Rh/c1-2-4-6-8-7-5-3-1;6*1-5(2,3)4;/h1-2,7-8H,3-6H2;6*(H2,2,3,4);
InChIKeyVEQKYIBVKNANFG-UHFFFAOYSA-N
MW811.00 g/mol
LogP2.96
Rot. Bonds

About cycloocta-1,5-diene;fluorophosphonic acid;rhodium

cycloocta-1,5-diene;fluorophosphonic acid;rhodium (PubChem CID 173081848) has the molecular formula C8H24F6O18P6Rh and a molecular weight of 811.00 g/mol. Its IUPAC name is cycloocta-1,5-diene;fluorophosphonic acid;rhodium.

Molecular Properties

Compound Namecycloocta-1,5-diene;fluorophosphonic acid;rhodium
PubChem CID173081848
Molecular FormulaC8H24F6O18P6Rh
Molecular Weight811.00 g/mol
Exact Mass810.83
IUPAC Namecycloocta-1,5-diene;fluorophosphonic acid;rhodium
SMILESC1=CCCC=CCC1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.[Rh]
InChIInChI=1S/C8H12.6FH2O3P.Rh/c1-2-4-6-8-7-5-3-1;6*1-5(2,3)4;/h1-2,7-8H,3-6H2;6*(H2,2,3,4);
InChIKeyVEQKYIBVKNANFG-UHFFFAOYSA-N
XLogP2.96
TPSA345.18 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 52.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;fluorophosphonic acid
CID 173239868
fluorophosphonic acid;zinc
CID 173113621
fluorophosphonic acid;dihydroiodide
CID 172705626
alumane;fluorophosphonic acid
CID 173163644
copper;fluorophosphonic acid
CID 173104152
alumane;azane;fluorophosphonic acid
CID 173036000
lithium;fluorophosphonic acid;fluoride
CID 158000068
lithium;fluorophosphonic acid;hydride;vanadium
CID 173022638
CID 174370439
CID 174370439
potassium;fluorophosphonic acid;hydride;vanadium
CID 175014028
bis(cyclopenta-1,3-diene);fluorophosphonic acid;iron(2+)
CID 173086124
(5Z)-cyclodeca-1,5-diene
CID 97293620

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;fluorophosphonic acid;rhodium?
The IUPAC name of cycloocta-1,5-diene;fluorophosphonic acid;rhodium (CID 173081848) is cycloocta-1,5-diene;fluorophosphonic acid;rhodium.
What is the SMILES notation for cycloocta-1,5-diene;fluorophosphonic acid;rhodium?
The canonical SMILES for cycloocta-1,5-diene;fluorophosphonic acid;rhodium is C1=CCCC=CCC1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.[Rh].
What is the InChIKey of cycloocta-1,5-diene;fluorophosphonic acid;rhodium?
The InChIKey is VEQKYIBVKNANFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.6FH2O3P.Rh/c1-2-4-6-8-7-5-3-1;6*1-5(2,3)4;/h1-2,7-8H,3-6H2;6*(H2,2,3,4);.
What are the key properties of cycloocta-1,5-diene;fluorophosphonic acid;rhodium?
cycloocta-1,5-diene;fluorophosphonic acid;rhodium has a molecular weight of 811.00 g/mol, XLogP of 2.96, 0 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;fluorophosphonic acid;rhodium is sourced from PubChem (CID 173081848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).