Basic information
- Standard SMILES
O=C(O)c1ccc(OCCCCc2ccccc2)c(C(F)(F)F)c1- InChIKey
DTKGUPZXBQAVHK-UHFFFAOYSA-N- Molecular formula
- C18H17F3O3
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.11297889
Names & identifiers
- Preferred name
- 4-(4-Phenylbutoxy)-3-(trifluoromethyl)benzoic acid
- IUPAC
- 4-(4-phenylbutoxy)-3-(trifluoromethyl)benzoic acid
Names & synonyms
4-(4-phenylbutoxy)-3-(trifluoromethyl)benzoic acidSCHEMBL2950691
Database identifiers
- PubChem CID
- 59384355
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Related reactions
1 records
Compound notes
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