Basic information
- CAS
100482-67-5- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(C(=O)C=C(C(F)(F)F)C(F)(F)F)cc1- InChIKey
GRSGIVXJQSIXLR-UHFFFAOYSA-N- Molecular formula
- C16H6F12O2
- Average molar mass
- 458.2 g/mol
- Monoisotopic mass
- 458.0176174
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1,1'-p-phenylenebis(4,4,4-trifluoro-3-trifluoromethyl-
- IUPAC
- 4,4,4-trifluoro-3-(trifluoromethyl)-1-[4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]phenyl]but-2-en-1-one
Names & synonyms
2-BUTEN-1-ONE, 1,1'-p-PHENYLENEBIS(4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-100482-67-5DTXSID501433301,1'-Phenylenebis(4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one)RefChem:257863DTXCID3065821NSC162097NSC-1620971,1'-(1,4-Phenylene)bis[4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one]2-Buten-1-one, 1,1'-(1,4-phenylene)bis[4,4,4-trifluoro-3-(trifluoromethyl)-
Database identifiers
- CAS
100482-67-5- PubChem CID
- 57930
- DTXSID
DTXSID50143330- Nikkaji
- J65.764F
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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