Basic information
- CAS
858369-42-3- Standard SMILES
O=C(c1coc2ccccc2c1=O)C(F)(F)C(F)F- InChIKey
GHGHIDWABSVFQH-UHFFFAOYSA-N- Molecular formula
- C12H6F4O3
- Average molar mass
- 274.17 g/mol
- Monoisotopic mass
- 274.0253067
Names & identifiers
- Preferred name
- 3-(2,2,3,3-Tetrafluoropropanoyl)-4H-1-benzopyran-4-one
- IUPAC
- 3-(2,2,3,3-tetrafluoropropanoyl)chromen-4-one
Names & synonyms
858369-42-33-(2,2,3,3-Tetrafluoropropanoyl)-4H-1-benzopyran-4-oneDTXSID601023051
Database identifiers
- CAS
858369-42-3- PubChem CID
- 12192545
- DTXSID
DTXSID601023051- Nikkaji
- J2.387.917D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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