4,4,5,5,6,6,6-Heptafluoro-1-(3-methylthiophen-2-yl)hexane-1,3-dione
Basic information
- CAS
575-93-9- Standard SMILES
Cc1ccsc1C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JVPMZBDOUZPNPW-UHFFFAOYSA-N- Molecular formula
- C11H7F7O2S
- Average molar mass
- 336.23 g/mol
- Monoisotopic mass
- 336.00549777
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,6-Heptafluoro-1-(3-methylthiophen-2-yl)hexane-1,3-dione
- IUPAC
- 4,4,5,5,6,6,6-heptafluoro-1-(3-methylthiophen-2-yl)hexane-1,3-dione
Names & synonyms
4,4,5,5,6,6,6-heptafluoro-1-(3-methylthiophen-2-yl)hexane-1,3-dione575-93-9NSC80367DTXSID00292105NSC-80367DS-005118
Database identifiers
- CAS
575-93-9- PubChem CID
- 255116
- DTXSID
DTXSID00292105
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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