Basic information
- Standard SMILES
CC(C)OC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1- InChIKey
MMTIPKFZXCSGDA-UHFFFAOYSA-N- Molecular formula
- C14H17F3O3
- Average molar mass
- 290.28 g/mol
Names & identifiers
- Preferred name
- Isopropyl 4-isopropoxy-3-(trifluoromethyl)benzoate
- IUPAC
- propan-2-yl 4-propan-2-yloxy-3-(trifluoromethyl)benzoate
Names & synonyms
isopropyl 4-isopropoxy-3-(trifluoromethyl)benzoateSCHEMBL4026841034188-33-4DB-2090011-methylethyl 4-[(1-methylethyl)oxy]-3-(trifluoromethyl)benzoate
Database identifiers
- PubChem CID
- 59201795
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
7 records
Compound notes
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