4,4,5,5,5-Pentafluoro-1-(4-methoxyphenyl)pentane-1,3-dione
Basic information
- CAS
832741-08-9- Standard SMILES
COc1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)F)cc1- InChIKey
LMNNOPVEPSVSHJ-UHFFFAOYSA-N- Molecular formula
- C12H9F5O3
- Average molar mass
- 296.19 g/mol
Names & identifiers
- Preferred name
- 4,4,5,5,5-Pentafluoro-1-(4-methoxyphenyl)pentane-1,3-dione
- IUPAC
- 4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)pentane-1,3-dione
- English name
- 4,4,5,5,5-Pentafluoro-1-(4-methoxy-phenyl)-pentane-1,3-dione
- Molecular formula
- C12H9F5O3
- Molecular weight
- 296.19
Names & synonyms
4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)pentane-1,3-dione832741-08-94,4,5,5,5-pentafluoro-1-(4-methoxy-phenyl)-pentane-1,3-dioneDTXSID6013692054,4,5,5,5-Pentafluoro-1-(4-methoxy-phenyl)-pentane -1,3-dioneBBL010143MFCD03420610SBB020672STK298729AKOS000308515VS-02336CS-0302722
Show more names
AKOS B009982AKOS MSC-0696ART-CHEM-BB B0099821,3-Pentanedione, 4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)-
EN300-228528(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-(4-methoxyphenyl)pent-1-en-3-one4,4,5,5,5-PENTAFLUORO-1-(4-METHOXYPHENYL)-1,3-PENTANEDIONE
Database identifiers
- CAS
832741-08-9
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914199090 · 2914199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914199090
- hazard_code
- Xi
- hazard_note
- Irritant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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