2(1H)-Pyridinone, 3-(3-phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propynyl)-
Basic information
- CAS
335665-62-8- Standard SMILES
O=c1[nH]cccc1[C@](C#Cc1ccccc1)(OCc1ccccc1)C(F)(F)F- InChIKey
ZRORZOALIRLCHO-NRFANRHFSA-N- Molecular formula
- C22H16F3NO2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.11331324
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-(3-phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propynyl)-
- IUPAC
- 3-[(2S)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-yn-2-yl]-1H-pyridin-2-one
Names & synonyms
335665-62-82(1H)-Pyridinone, 3-(3-phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propynyl)-3-((1S)-3-Phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)prop-2-ynyl)hydropyridin-2-one2(1H)-Pyridinone, 3-[3-phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propynyl]-3-[(1S)-3-Phenyl-1-(phenylmethoxy)-1-(trifluoromethyl)prop-2-ynyl]hydropyridin-2-one3-[(2s)-2-(benzyloxy)-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl]pyridin-2(1h)-oneDTXSID701872563-[(1S)-1-benzyloxy-3-phenyl-1-(trifluoromethyl)prop-2-ynyl]-1H-pyridin-2-one
Database identifiers
- CAS
335665-62-8- PubChem CID
- 483799
- DTXSID
DTXSID70187256
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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