1-(2,5-Difluorophenyl)-5-(dimethylamino)pentan-1-one
Basic information
- CAS
918648-60-9- Standard SMILES
CN(C)CCCCC(=O)c1cc(F)ccc1F- InChIKey
QOUMRYQMJYFDPP-UHFFFAOYSA-N- Molecular formula
- C13H17F2NO
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.12782049
Names & identifiers
- Preferred name
- 1-(2,5-Difluorophenyl)-5-(dimethylamino)pentan-1-one
- IUPAC
- 1-(2,5-difluorophenyl)-5-(dimethylamino)pentan-1-one
Names & synonyms
1-(2,5-Difluorophenyl)-5-(dimethylamino)pentan-1-one918648-60-9SCHEMBL3220179DTXSID40738597
Database identifiers
- CAS
918648-60-9- PubChem CID
- 68554385
- DTXSID
DTXSID40738597
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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