Basic information
- CAS
819792-52-4- Standard SMILES
O=C(C=Cc1ccccc1)c1cccc(C(F)(F)F)c1- InChIKey
PBGSCTPDAVCTBJ-UHFFFAOYSA-N- Molecular formula
- C16H11F3O
- Average molar mass
- 276.25 g/mol
- Monoisotopic mass
- 276.07619946
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-
- IUPAC
- 3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Names & synonyms
2-Propen-1-one, 3-phenyl-1-[3-(trifluoromethyl)phenyl]-819792-52-4(E)-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one3'-trifluoromethylchalconeSCHEMBL977524DTXSID70403488PBGSCTPDAVCTBJ-UHFFFAOYSA-NAKOS017085819
Database identifiers
- CAS
819792-52-4- PubChem CID
- 4457728
- DTXSID
DTXSID70403488
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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