Basic information
- CAS
30060-46-9- Standard SMILES
O=C1CCN(OCc2cccc(C(F)(F)F)c2)C(=O)N1- InChIKey
YPLMMWUGVKXYFF-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O3
- Average molar mass
- 288.22 g/mol
- Monoisotopic mass
- 288.0721767
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5,6-dihydro-1-(alpha,alpha,alpha-trifluoro-m-tolyloxy)-
- IUPAC
- 1-[[3-(trifluoromethyl)phenyl]methoxy]-1,3-diazinane-2,4-dione
Names & synonyms
30060-46-92,4(1H,3H)-Pyrimidinedione, 5,6-dihydro-1-(alpha,alpha,alpha-trifluoro-m-tolyloxy)-BRN 08315365,6-Dihydro-1-(m-trifluoromethylbenzyloxy)-2,4(1H,3H)-pyrimidinedioneDTXSID301841201-{[3-(TRIFLUOROMETHYL)PHENYL]METHOXY}-1,3-DIAZINANE-2,4-DIONE
Database identifiers
- CAS
30060-46-9- PubChem CID
- 207441
- DTXSID
DTXSID30184120
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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