Basic information
- Standard SMILES
COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1NN- InChIKey
ZQXCSCHMUCZQTH-UHFFFAOYSA-N- Molecular formula
- C13H11ClF4N4O3
- Average molar mass
- 382.7 g/mol
Names & identifiers
- Preferred name
- 3-[4-chloro-2-diazanyl-6-fluoro-3-methoxyphenyl]-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione
- IUPAC
- 3-(4-chloro-6-fluoro-2-hydrazinyl-3-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
Names & synonyms
3-[4-chloro-2-diazanyl-6-fluoro-3-methoxyphenyl]-1-methyl-6-trifluoromethyl-2,4(1H, 3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 86585907
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 588
Related reactions
6 records
Compound notes
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