Basic information
- Standard SMILES
CCC(=O)C=CCCCCCCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
ZDQWDILJIFWIAN-UHFFFAOYSA-N- Molecular formula
- C20H24F6O2
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.16804898
Names & identifiers
- Preferred name
- 11-(3',5'-Bistrifluoromethylbenzyloxy) undeca-4-ene-3-one
- IUPAC
- 11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]undec-4-en-3-one
Names & synonyms
11-(3',5'-bistrifluoromethylbenzyloxy) undeca-4-ene-3-oneSCHEMBL9683374
Database identifiers
- PubChem CID
- 57249347
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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