Basic information
- Standard SMILES
O=c1ncc(Cl)cn1COc1cccc(C(F)(F)F)c1- InChIKey
NMJAECYPXHPPBR-UHFFFAOYSA-N- Molecular formula
- C12H8ClF3N2O2
- Average molar mass
- 304.65 g/mol
- Monoisotopic mass
- 304.0226397
Names & identifiers
- Preferred name
- 1-(3-Trifluoromethylphenoxy)methyl-5-chloropyrimidin-2-one
- IUPAC
- 5-chloro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrimidin-2-one
Names & synonyms
1-(3-Trifluoromethylphenoxy)methyl-5-chloropyrimidin-2-oneSCHEMBL10737387
Database identifiers
- PubChem CID
- 20161332
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Related reactions
3 records
Linked notes
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