1,4,7,7,8,8-Hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
Basic information
- CAS
31462-61-0- Standard SMILES
CC1=C(C(F)(F)F)C2(F)C=CC1(F)C(F)(F)C2(F)F- InChIKey
QXUOMWUPEUVTEI-UHFFFAOYSA-N- Molecular formula
- C10H5F9
- Average molar mass
- 296.13 g/mol
- Monoisotopic mass
- 296.02475362
Names & identifiers
- Preferred name
- 1,4,7,7,8,8-Hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
- IUPAC
- 1,4,7,7,8,8-hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
- English name
- 1,4,7,7,8,8-Hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
- Molecular formula
- C10H5F9
- Molecular weight
- 296.13
Names & synonyms
1,4,7,7,8,8-Hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-dieneQXUOMWUPEUVTEI-UHFFFAOYSA-NDTXSID401045639Bicyclo[2.2.2]octa-2,5-diene, 1,4,7,7,8,8-hexafluoro-2-methyl-3-(trifluoromethyl)-31462-61-01,4,7,7,8,8-Hexafluoro-2-methyl-3-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene #
Database identifiers
- CAS
31462-61-0- PubChem CID
- 607235
- DTXSID
DTXSID401045639- Nikkaji
- J144.785H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 498
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Related reactions
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Compound notes
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