Basic information
- CAS
1016717-62-6- Standard SMILES
CC(C)C(Br)C(=O)Nc1ccccc1OC(F)(F)F- InChIKey
XJWPDHUQUNPTFM-UHFFFAOYSA-N- Molecular formula
- C12H13BrF3NO2
- Average molar mass
- 340.14 g/mol
- Monoisotopic mass
- 339.00818
Names & identifiers
- Preferred name
- 2-Bromo-3-methyl-N-[2-(trifluoromethoxy)phenyl]butanamide
- IUPAC
- 2-bromo-3-methyl-N-[2-(trifluoromethoxy)phenyl]butanamide
Names & synonyms
2-BROMO-3-METHYL-N-[2-(TRIFLUOROMETHOXY)PHENYL]BUTANAMIDEDTXSID201198905AKOS0001588771016717-62-6
Database identifiers
- CAS
1016717-62-6- PubChem CID
- 20119682
- DTXSID
DTXSID201198905
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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