Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate

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Basic information

CAS: 6935-49-5
Standard SMILES: COC(=O)C(=O)C(F)(C(=O)OC)C(OC(C)=O)C(C)C
InChIKey: RSYSWZRHRYIUNQ-UHFFFAOYSA-N
Molecular formula: C12H17FO7
Average molar mass: 292.26 g/mol
Monoisotopic mass: 292.09583104

Names & identifiers

Preferred name: Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate
IUPAC: dimethyl 2-(1-acetyloxy-2-methylpropyl)-2-fluoro-3-oxobutanedioate
English name: dimethyl 2-(1-acetyloxy-2-methyl-propyl)-2-fluoro-3-oxo-butanedioate
Molecular formula: C12H17FO7
Molecular weight: 0

Names & synonyms

6935-49-5DIMETHYL 2-(1-ACETYLOXY-2-METHYL-PROPYL)-2-FLUORO-3-OXO-BUTANEDIOATEdimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioateNSC43292DTXSID10285947NSC-43292

Database identifiers

CAS: 6935-49-5
PubChem CID: 238765
DTXSID: DTXSID10285947

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 96 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 20
Formal charge: 0
Complexity: 418

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Compound notes

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