Basic information
- Standard SMILES
COC(=O)c1ccc(OCCCC(F)(F)F)cc1- InChIKey
PMNLKHAHWOLBSL-UHFFFAOYSA-N- Molecular formula
- C12H13F3O3
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.08167876
Names & identifiers
- Preferred name
- Methyl 4-(4,4,4-trifluorobutoxy)benzoate
- IUPAC
- methyl 4-(4,4,4-trifluorobutoxy)benzoate
Names & synonyms
methyl 4-(4,4,4-trifluorobutoxy)benzoateSCHEMBL3357545methyl 4-(4,4,4-trifluoro-butoxy)-benzoate
Database identifiers
- PubChem CID
- 68611599
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Related reactions
4 records
Compound notes
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