1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-EN-2-one
Basic information
- CAS
339010-40-1- Standard SMILES
CC(=CC(=O)C(F)(F)F)NCC(=O)c1ccccc1- InChIKey
IFFBNQVEORJUEJ-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO2
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.08201311
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-[(2-oxo-2-phenylethyl)amino]pent-3-EN-2-one
- IUPAC
- 1,1,1-trifluoro-4-(phenacylamino)pent-3-en-2-one
Names & synonyms
1,1,1-TRIFLUORO-4-[(2-OXO-2-PHENYLETHYL)AMINO]PENT-3-EN-2-ONEDTXSID501180416AKOS030245176
Database identifiers
- CAS
339010-40-1- PubChem CID
- 4360232
- DTXSID
DTXSID501180416
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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