Basic information
- CAS
23197-71-9- Standard SMILES
CCOC(=O)C(F)(C(=O)OCC)c1ccc(CC(C)C)cc1- InChIKey
CVEADRMKLCECBY-UHFFFAOYSA-N- Molecular formula
- C17H23FO4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15803737
Names & identifiers
- Preferred name
- Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester
- IUPAC
- diethyl 2-fluoro-2-[4-(2-methylpropyl)phenyl]propanedioate
Names & synonyms
Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester23197-71-9DTXSID50177776RefChem:351845DTXCID10100267Diethyl fluoro[4-(2-methylpropyl)phenyl]propanedioateMalonic acid, 2-fluoro-2-(p-isobutylphenyl)-, diethyl ester
Database identifiers
- CAS
23197-71-9- PubChem CID
- 141012
- DTXSID
DTXSID50177776
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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