3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butan-2-one
Basic information
- CAS
80553-01-1- Standard SMILES
CC(=O)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
RUWGMSJKDIOWQO-UHFFFAOYSA-N- Molecular formula
- C5H3F7O
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 212.00721185
Names & identifiers
- Preferred name
- 3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butan-2-one
- IUPAC
- 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-2-one
Names & synonyms
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butan-2-one80553-01-1SCHEMBL4051911perfluoro-isopropyl methyl ketoneDTXSID40508474RUWGMSJKDIOWQO-UHFFFAOYSA-N3,4,4,4-tetrafluoro-3-(trifluoromethyl)-butan-2-one
Database identifiers
- CAS
80553-01-1- PubChem CID
- 12735366
- DTXSID
DTXSID40508474- Nikkaji
- J909.760K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Related reactions
0 records
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Compound notes
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