Basic information
- CAS
858369-43-4- Standard SMILES
Cc1ccc2occ(C(=O)C(F)(F)C(F)F)c(=O)c2c1- InChIKey
GGRUZVOOVDALKB-UHFFFAOYSA-N- Molecular formula
- C13H8F4O3
- Average molar mass
- 288.19 g/mol
- Monoisotopic mass
- 288.04095676
Names & identifiers
- Preferred name
- 6-Methyl-3-(2,2,3,3-tetrafluoropropanoyl)-4H-chromen-4-one
- IUPAC
- 6-methyl-3-(2,2,3,3-tetrafluoropropanoyl)chromen-4-one
Names & synonyms
858369-43-46-Methyl-3-(2,2,3,3-tetrafluoropropanoyl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 6-methyl-3-(2,2,3,3-tetrafluoro-1-oxopropyl)-DTXSID604798796-Methyl-3-(2,2,3,3-tetrafluoropropanoyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
858369-43-4- PubChem CID
- 12192546
- DTXSID
DTXSID60479879- Nikkaji
- J2.387.918B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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