Basic information
- CAS
14189-31-2- Standard SMILES
CC(C)CCC(=O)CC(=O)C(F)(F)F- InChIKey
CODKKBRZQLFZKF-UHFFFAOYSA-N- Molecular formula
- C9H13F3O2
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.08676414
Names & identifiers
- Preferred name
- 2,4-Octanedione, 1,1,1-trifluoro-7-methyl-
- IUPAC
- 1,1,1-trifluoro-7-methyloctane-2,4-dione
- English name
- 1,1,1-Trifluoro-7-methyl-2,4-octanedione
- Molecular formula
- C9H13F3O2
- Molecular weight
- 210.2
Names & synonyms
2,4-Octanedione, 1,1,1-trifluoro-7-methyl-14189-31-2DTXSID0065723RefChem:443941DTXCID40346031,1,1-trifluoro-7-methyloctane-2,4-dione1,1,1-Trifluoro-7-methyl-2,4-octanedioneSCHEMBL11606311trifluoro-7-methyl-2,4-octanedione
Database identifiers
- CAS
14189-31-2- PubChem CID
- 84248
- DTXSID
DTXSID0065723- Nikkaji
- J421.911B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,4-Octanedione, 1,1,1-trifluoro-7-methyl- (14189-31-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Octanedione, 1,1,1-trifluoro-7-methyl-: INACTIVE
Related reactions
1 records
Compound notes
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