Ethanedione, 3-pyridinyl[3-(trifluoromethyl)phenyl]-
Basic information
- CAS
88709-89-1- Standard SMILES
O=C(C(=O)c1cccc(C(F)(F)F)c1)c1cccnc1- InChIKey
DKUNTLWLXCFULF-UHFFFAOYSA-N- Molecular formula
- C14H8F3NO2
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 279.05071298
Names & identifiers
- Preferred name
- Ethanedione, 3-pyridinyl[3-(trifluoromethyl)phenyl]-
- IUPAC
- 1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]ethane-1,2-dione
Names & synonyms
Ethanedione, 3-pyridinyl[3-(trifluoromethyl)phenyl]-88709-89-1SCHEMBL10841345DTXSID00632784DKUNTLWLXCFULF-UHFFFAOYSA-N1-(Pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-dione
Database identifiers
- CAS
88709-89-1- PubChem CID
- 23314643
- DTXSID
DTXSID00632784
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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