1-(2,6-Difluorophenyl)-3,3-dimethylbutan-2-one
Basic information
- CAS
1518193-65-1- Standard SMILES
CC(C)(C)C(=O)Cc1c(F)cccc1F- InChIKey
IBEFIHSRUSUNAN-UHFFFAOYSA-N- Molecular formula
- C12H14F2O
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10127139
Names & identifiers
- Preferred name
- 1-(2,6-Difluorophenyl)-3,3-dimethylbutan-2-one
- IUPAC
- 1-(2,6-difluorophenyl)-3,3-dimethylbutan-2-one
Names & synonyms
DTXSID701239449AKOS0189416971-(2,6-Difluorophenyl)-3,3-dimethylbutan-2-one2-Butanone, 1-(2,6-difluorophenyl)-3,3-dimethyl-1518193-65-1
Database identifiers
- CAS
1518193-65-1- PubChem CID
- 80378684
- DTXSID
DTXSID701239449
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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