1-(2-cyclopropylethyl)-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione
Basic information
- CAS
477933-12-3- Standard SMILES
O=c1oc(=O)n(CCC2CC2)c2ccc(F)cc12- InChIKey
GHLUJHVVLMJROO-UHFFFAOYSA-N- Molecular formula
- C13H12FNO3
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.08012141
Names & identifiers
- Preferred name
- 1-(2-cyclopropylethyl)-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione
- IUPAC
- 1-(2-cyclopropylethyl)-6-fluoro-3,1-benzoxazine-2,4-dione
- English name
- 1-(2-CYCLOPROPYL-ETHYL)-6-FLUORO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
- Molecular formula
- C13H12FNO3
- Molecular weight
- 249.24
Names & synonyms
477933-12-31-(2-cyclopropylethyl)-6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione1-(2-CYCLOPROPYL-ETHYL)-6-FLUORO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE1-(2-Cyclopropylethyl)-6-fluoro-2H-3,1-benzoxazine-2,4(1H)-dione1-(2-CYCLOPROPYLETHYL)-6-FLUORO-3,1-BENZOXAZINE-2,4-DIONESCHEMBL3924246DTXSID90468094AKOS015902274AG-F-62565C158402H-3,1-Benzoxazine-2,4(1H)-dione, 1-(2-cyclopropylethyl)-6-fluoro-1-(2-Cyclopropylethyl)-6-fluorobenzo[d][1,3]oxazine-2,4-dione
Show more names
1-(2-Cyclopropylethyl)-6-fluoro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
Database identifiers
- CAS
477933-12-3- PubChem CID
- 11528906
- DTXSID
DTXSID90468094
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Melting point
- 73 · 73-75°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
Chemistry & industry
Applications
UsesIntermediate in the synthesis of HCV polymerase inhibitors.
Upstream & downstream products
Downstream products
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Compound notes
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