Basic information
- Standard SMILES
O=C(CCC(F)(F)F)c1cccc(Br)c1- InChIKey
WAFNAQGMAMAZFQ-UHFFFAOYSA-N- Molecular formula
- C10H8BrF3O
- Average molar mass
- 281.07 g/mol
Names & identifiers
- Preferred name
- 1-Butanone, 1-(3-bromophenyl)-4,4,4-trifluoro-
- IUPAC
- 1-(3-bromophenyl)-4,4,4-trifluorobutan-1-one
Names & synonyms
1-Butanone, 1-(3-bromophenyl)-4,4,4-trifluoro-SCHEMBL2791794AKOS0138910871-(3-Bromo-phenyl)-4,4,4-trifluoro-butan-1-one
Database identifiers
- PubChem CID
- 57435866
- Nikkaji
- J3.271.302E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
6 records
Compound notes
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