Basic information
- Standard SMILES
COC(=O)/C=C/c1cnc(C(F)(F)F)nc1- InChIKey
HIRRBLQZWQLUTM-NSCUHMNNSA-N- Molecular formula
- C9H7F3N2O2
- Average molar mass
- 232.16 g/mol
- Monoisotopic mass
- 232.04596196
Names & identifiers
- Preferred name
- methyl (2E)-3-[2-(trifluoromethyl)-5-pyrimidinyl]-2-propenoate
- IUPAC
- methyl (E)-3-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-enoate
Names & synonyms
methyl (2E)-3-[2-(trifluoromethyl)-5-pyrimidinyl]-2-propenoateSCHEMBL4419341
Database identifiers
- PubChem CID
- 21936364
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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