Basic information
- Standard SMILES
CCCCCCCCc1ccc2c(c1)C(F)(F)C(F)(F)c1cc(Br)ccc1-2- InChIKey
BCQNTWZRWILBAG-UHFFFAOYSA-N- Molecular formula
- C22H23BrF4
- Average molar mass
- 443.3 g/mol
- Monoisotopic mass
- 442.09193
Names & identifiers
- Preferred name
- 9,9,10,10-Tetrafluoro-2-bromo-7-octyl-9,10-dihydrophenanthrene
- IUPAC
- 2-bromo-9,9,10,10-tetrafluoro-7-octylphenanthrene
Names & synonyms
9,9,10,10-tetrafluoro-2-bromo-7-octyl-9,10-dihydrophenanthreneSCHEMBL7611691
Database identifiers
- PubChem CID
- 53675155
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Compound notes
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