cycloocta-1,5-diene tetrafluoroborate

C8H12BF4- — CID 157198670

IUPACcycloocta-1,5-diene tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F
InChIInChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1
InChIKeyAQNUZABOYQHSNA-UHFFFAOYSA-N
MW194.99 g/mol
LogP3.97
Rot. Bonds

About cycloocta-1,5-diene tetrafluoroborate

cycloocta-1,5-diene tetrafluoroborate (PubChem CID 157198670) has the molecular formula C8H12BF4- and a molecular weight of 194.99 g/mol. Its IUPAC name is cycloocta-1,5-diene tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene tetrafluoroborate
PubChem CID157198670
Molecular FormulaC8H12BF4-
Molecular Weight194.99 g/mol
Exact Mass195.10
IUPAC Namecycloocta-1,5-diene tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F
InChIInChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1
InChIKeyAQNUZABOYQHSNA-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.99
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cycloocta-1,5-diene tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene tetrafluoroborate (CID 157198670) is cycloocta-1,5-diene tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.
What is the InChIKey of cycloocta-1,5-diene tetrafluoroborate?
The InChIKey is AQNUZABOYQHSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.BF4/c1-2-4-6-8-7-5-3-1;2-1(3,4)5/h1-2,7-8H,3-6H2;/q;-1.
What are the key properties of cycloocta-1,5-diene tetrafluoroborate?
cycloocta-1,5-diene tetrafluoroborate has a molecular weight of 194.99 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene tetrafluoroborate is sourced from PubChem (CID 157198670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).