1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene

C10H2F12 — CID 619506

IUPAC1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F12/c11-5-1-2-6(12,10(21,22)9(5,19)20)4(8(16,17)18)3(5)7(13,14)15/h1-2H
InChIKeyMZHCUKGOPDOYHS-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.68
Rot. Bonds

About 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene

1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene (PubChem CID 619506) has the molecular formula C10H2F12 and a molecular weight of 350.10 g/mol. Its IUPAC name is 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene.

Molecular Properties

Compound Name1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
PubChem CID619506
Molecular FormulaC10H2F12
Molecular Weight350.10 g/mol
Exact Mass350.00
IUPAC Name1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F
InChIInChI=1S/C10H2F12/c11-5-1-2-6(12,10(21,22)9(5,19)20)4(8(16,17)18)3(5)7(13,14)15/h1-2H
InChIKeyMZHCUKGOPDOYHS-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The IUPAC name of 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene (CID 619506) is 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene.
What is the SMILES notation for 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The canonical SMILES for 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene is FC(F)(F)C1=C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
The InChIKey is MZHCUKGOPDOYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F12/c11-5-1-2-6(12,10(21,22)9(5,19)20)4(8(16,17)18)3(5)7(13,14)15/h1-2H.
What are the key properties of 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene?
1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene has a molecular weight of 350.10 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,7,8,8-hexafluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene is sourced from PubChem (CID 619506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).