5,5-Difluoro-7-Methyl-1,7-Octadien-4-One
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Basic information
- CAS
373393-24-9- Standard SMILES
C=CCC(=O)C(F)(F)CC(=C)C- InChIKey
BZLOTVDVOMLWBI-UHFFFAOYSA-N- Molecular formula
- C9H12F2O
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08562133
Names & identifiers
- Preferred name
- 5,5-Difluoro-7-Methyl-1,7-Octadien-4-One
- IUPAC
- 5,5-difluoro-7-methylocta-1,7-dien-4-one
- English name
- 1,7-Octadien-4-one, 5,5-difluoro-7-methyl-
- Molecular formula
- C9H12F2O
- Molecular weight
- 174.19
Names & synonyms
5,5-Difluoro-7-Methyl-1,7-Octadien-4-One373393-24-91,7-Octadien-4-one, 5,5-difluoro-7-methyl-DB-267644
Database identifiers
- CAS
373393-24-9- PubChem CID
- 11446619
- Nikkaji
- J1.570.979K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
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Compound notes
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