1,5-Hexanedione, 1-(p-fluorophenyl)-
Basic information
- CAS
29229-59-2- Standard SMILES
CC(=O)CCCC(=O)c1ccc(F)cc1- InChIKey
BPCPUXWYSQVODK-UHFFFAOYSA-N- Molecular formula
- C12H13FO2
- Average molar mass
- 208.23 g/mol
- Monoisotopic mass
- 208.08995782
Names & identifiers
- Preferred name
- 1,5-Hexanedione, 1-(p-fluorophenyl)-
- IUPAC
- 1-(4-fluorophenyl)hexane-1,5-dione
Names & synonyms
1,5-HEXANEDIONE, 1-(p-FLUOROPHENYL)-BRN 25805601-(p-Fluorophenyl)-1,5-hexanedione29229-59-2DTXSID60183484RefChem:221408DTXCID701059751-(4-fluorophenyl)hexane-1,5-dioneSCHEMBL13564338
Database identifiers
- CAS
29229-59-2- PubChem CID
- 34523
- DTXSID
DTXSID60183484
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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