Basic information
- Standard SMILES
CCCCC12CCC(=O)C(Br)=C1c1cc(F)c(NC(C)=O)cc1C2- InChIKey
ZHJGGSPFWCYSRN-UHFFFAOYSA-N- Molecular formula
- C19H21BrFNO2
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- 7-(acetylamino)-4-bromo-9a-butyl-6-fluoro-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- N-(5-bromo-8a-butyl-3-fluoro-6-oxo-8,9-dihydro-7H-fluoren-2-yl)acetamide
Names & synonyms
SCHEMBL5334036ZHJGGSPFWCYSRN-UHFFFAOYSA-N7-(acetylamino)-4-bromo-9a-butyl-6-fluoro-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 17972723
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 576
Related reactions
6 records
Compound notes
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