bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate

C14H16BF4- — CID 87568855

IUPACbis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.F[B-](F)(F)F
InChIInChI=1S/2C7H8.BF4/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5/h2*1-2H,3-5H2;/q;;-1
InChIKeyOVZBAARKHPLWKW-UHFFFAOYSA-N
MW271.09 g/mol
LogP5.37
Rot. Bonds

About bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate

bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate (PubChem CID 87568855) has the molecular formula C14H16BF4- and a molecular weight of 271.09 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate
PubChem CID87568855
Molecular FormulaC14H16BF4-
Molecular Weight271.09 g/mol
Exact Mass271.13
IUPAC Namebis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.F[B-](F)(F)F
InChIInChI=1S/2C7H8.BF4/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5/h2*1-2H,3-5H2;/q;;-1
InChIKeyOVZBAARKHPLWKW-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.09
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate?
The IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate (CID 87568855) is bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate.
What is the SMILES notation for bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate?
The canonical SMILES for bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate is C1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.F[B-](F)(F)F.
What is the InChIKey of bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate?
The InChIKey is OVZBAARKHPLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.BF4/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5/h2*1-2H,3-5H2;/q;;-1.
What are the key properties of bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate?
bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate has a molecular weight of 271.09 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hepta-1,3-diene);tetrafluoroborate is sourced from PubChem (CID 87568855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).