1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene

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Basic information

CAS: 31463-45-3
Standard SMILES: CC1=CC2(F)C=CC1(F)C(F)(F)C2(F)F
InChIKey: LYYOGCPHYMLJNU-UHFFFAOYSA-N
Molecular formula: C9H6F6
Average molar mass: 228.13 g/mol
Monoisotopic mass: 228.03736916

Names & identifiers

Preferred name: 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
IUPAC: 1,4,7,7,8,8-hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene

Names & synonyms

1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-dieneLYYOGCPHYMLJNU-UHFFFAOYSA-NDTXSID401045627Bicyclo[2.2.2]octa-2,5-diene, 1,4,7,7,8,8-hexafluoro-2-methyl-31463-45-31,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene #

Database identifiers

CAS: 31463-45-3
PubChem CID: 581902
DTXSID: DTXSID401045627
Nikkaji: J144.786F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 382

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Compound notes

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