Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1CBr- InChIKey
REFRDUOEOKXVKC-UHFFFAOYSA-N- Molecular formula
- C14H10BrF3O3
- Average molar mass
- 363.13 g/mol
Names & identifiers
- Preferred name
- Methyl 2-bromomethyl-5-[4-(trifluoromethyl)phenyl]-3-furoate
- IUPAC
- methyl 2-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
Names & synonyms
Methyl 2-bromomethyl-5-[4-(trifluoromethyl)phenyl]-3-furoateSCHEMBL5860698methyl 2-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]-3-furoate
Database identifiers
- PubChem CID
- 21986318
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
10 records
Compound notes
Loading…