Basic information
- Standard SMILES
FC(F)(F)c1cc(OCCCCOCc2ccccc2)ncn1- InChIKey
FLIPWNVDYJJYIG-UHFFFAOYSA-N- Molecular formula
- C16H17F3N2O2
- Average molar mass
- 326.31 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Benzyloxy)butoxy]-6-(trifluoromethyl)pyrimidine
- IUPAC
- 4-(4-phenylmethoxybutoxy)-6-(trifluoromethyl)pyrimidine
Names & synonyms
4-[4-(benzyloxy)butoxy]-6-(trifluoromethyl)pyrimidineSCHEMBL3091177
Database identifiers
- PubChem CID
- 59527261
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Related reactions
2 records
Compound notes
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