Basic information
- Standard SMILES
CCCCCCOc1ccc(CCCCC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
PEQKLHDJCVVOQP-UHFFFAOYSA-N- Molecular formula
- C20H25F7O2
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.17427717
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3-Heptafluoro-8-(4-hexoxyphenyl)octan-4-one
- IUPAC
- 1,1,1,2,2,3,3-heptafluoro-8-(4-hexoxyphenyl)octan-4-one
Names & synonyms
CHEMBL1094418DTXSID5013678061,1,1,2,2,3,3-heptafluoro-8-(4-hexoxyphenyl)octan-4-one
Database identifiers
- PubChem CID
- 46222017
- DTXSID
DTXSID501367806- ChEMBL
CHEMBL1094418
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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