1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

C12H8F6 — CID 162621213

IUPAC1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESFC1=C(F)C2(F)C3C4C=CC(C4)C3C1(F)C2(F)F
InChIInChI=1S/C12H8F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2
InChIKeyNSIWKSZVEGGXER-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.65
Rot. Bonds

About 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (PubChem CID 162621213) has the molecular formula C12H8F6 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.

Molecular Properties

Compound Name1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
PubChem CID162621213
Molecular FormulaC12H8F6
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Name1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
SMILESFC1=C(F)C2(F)C3C4C=CC(C4)C3C1(F)C2(F)F
InChIInChI=1S/C12H8F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2
InChIKeyNSIWKSZVEGGXER-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The IUPAC name of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (CID 162621213) is 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.
What is the SMILES notation for 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The canonical SMILES for 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is FC1=C(F)C2(F)C3C4C=CC(C4)C3C1(F)C2(F)F.
What is the InChIKey of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
The InChIKey is NSIWKSZVEGGXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2.
What are the key properties of 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene?
1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene has a molecular weight of 266.18 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9,10,11,11-hexafluorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene is sourced from PubChem (CID 162621213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).