bis(cycloocta-1,5-diene);fluoroform;rhodium

C17H25F3Rh — CID 160892790

IUPACbis(cycloocta-1,5-diene);fluoroform;rhodium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.FC(F)F.[Rh]
InChIInChI=1S/2C8H12.CHF3.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3)4;/h2*1-2,7-8H,3-6H2;1H;
InChIKeyVVUJHFJWRIJMTE-UHFFFAOYSA-N
MW389.29 g/mol
LogP6.52
Rot. Bonds

About bis(cycloocta-1,5-diene);fluoroform;rhodium

bis(cycloocta-1,5-diene);fluoroform;rhodium (PubChem CID 160892790) has the molecular formula C17H25F3Rh and a molecular weight of 389.29 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);fluoroform;rhodium.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);fluoroform;rhodium
PubChem CID160892790
Molecular FormulaC17H25F3Rh
Molecular Weight389.29 g/mol
Exact Mass389.10
IUPAC Namebis(cycloocta-1,5-diene);fluoroform;rhodium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.FC(F)F.[Rh]
InChIInChI=1S/2C8H12.CHF3.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3)4;/h2*1-2,7-8H,3-6H2;1H;
InChIKeyVVUJHFJWRIJMTE-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cycloocta-1,5-diene);fluoroform;rhodium?
The IUPAC name of bis(cycloocta-1,5-diene);fluoroform;rhodium (CID 160892790) is bis(cycloocta-1,5-diene);fluoroform;rhodium.
What is the SMILES notation for bis(cycloocta-1,5-diene);fluoroform;rhodium?
The canonical SMILES for bis(cycloocta-1,5-diene);fluoroform;rhodium is C1=CCCC=CCC1.C1=CCCC=CCC1.FC(F)F.[Rh].
What is the InChIKey of bis(cycloocta-1,5-diene);fluoroform;rhodium?
The InChIKey is VVUJHFJWRIJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.CHF3.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3)4;/h2*1-2,7-8H,3-6H2;1H;.
What are the key properties of bis(cycloocta-1,5-diene);fluoroform;rhodium?
bis(cycloocta-1,5-diene);fluoroform;rhodium has a molecular weight of 389.29 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);fluoroform;rhodium is sourced from PubChem (CID 160892790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).