(2R)-2-[(1R)-1,2-Dihydroxyethyl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
Basic information
- CAS
797054-22-9- Standard SMILES
O=C1C[C@H]([C@H](O)CO)Oc2ccc(F)cc21- InChIKey
ROUSWOLADOQUDH-MWLCHTKSSA-N- Molecular formula
- C11H11FO4
- Average molar mass
- 226.2 g/mol
- Monoisotopic mass
- 226.06413699
Names & identifiers
- Preferred name
- (2R)-2-[(1R)-1,2-Dihydroxyethyl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
- IUPAC
- (2R)-2-[(1R)-1,2-dihydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
Names & synonyms
SCHEMBL13925795DTXSID701143393(2R)-2-[(1R)-1,2-Dihydroxyethyl]-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one797054-22-9(2R)-2-(1,2-Dihydroxyethyl)-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
797054-22-9- PubChem CID
- 10105096
- DTXSID
DTXSID701143393
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…