Basic information
- CAS
15851-94-2- Standard SMILES
CC(=O)C(=Cc1ccc(F)cc1)C(C)=O- InChIKey
GOHOMOOLOBVXQM-UHFFFAOYSA-N- Molecular formula
- C12H11FO2
- Average molar mass
- 206.21 g/mol
- Monoisotopic mass
- 206.07430775
Names & identifiers
- Preferred name
- 3-[(4-Fluorophenyl)methylidene]pentane-2,4-dione
- IUPAC
- 3-[(4-fluorophenyl)methylidene]pentane-2,4-dione
Names & synonyms
15851-94-23-[(4-fluorophenyl)methylidene]pentane-2,4-dione3-(4-Fluorobenzylidene)pentane-2,4-dione3-(4-Fluorobenzylidene)-2,4-pentanedioneNSC637171SCHEMBL7245153DTXSID10327210ALBB-031827MFCD00488973AKOS037629241NSC-637171LS-11598
Show more names
H459463-[(4-fluorophenyl)methylene]pentane-2,4-dione
Database identifiers
- CAS
15851-94-2- PubChem CID
- 367447
- DTXSID
DTXSID10327210- Nikkaji
- J1.606.762H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
LogP1.65
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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