2-Amino-1-(4-fluorophenyl)-1-butanone
Basic information
- CAS
313239-77-9- Standard SMILES
CCC(N)C(=O)c1ccc(F)cc1- InChIKey
CDIAJVCXLAGRBM-UHFFFAOYSA-N- Molecular formula
- C10H12FNO
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.09029217
Names & identifiers
- Preferred name
- 2-Amino-1-(4-fluorophenyl)-1-butanone
- IUPAC
- 2-amino-1-(4-fluorophenyl)butan-1-one
Names & synonyms
2-amino-1-(4-fluorophenyl)-1-butanone313239-77-9SCHEMBL17269415DTXSID701043387MFCD00463003AKOS001588921EU-0001150
Database identifiers
- CAS
313239-77-9- PubChem CID
- 3324738
- DTXSID
DTXSID701043387
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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