1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)pent-1-en-3-one
Basic information
- CAS
54376-59-9- Standard SMILES
O=C(C(=C(F)F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
QOPBPTHPABCRER-UHFFFAOYSA-N- Molecular formula
- C6F10O
- Average molar mass
- 278.05 g/mol
- Monoisotopic mass
- 277.97894624
Names & identifiers
- Preferred name
- 1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)pent-1-en-3-one
- IUPAC
- 1,1,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pent-1-en-3-one
Names & synonyms
54376-59-91,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)pent-1-en-3-oneDTXSID40505882RefChem:213362DTXCID70456691
Database identifiers
- CAS
54376-59-9- PubChem CID
- 12656409
- DTXSID
DTXSID40505882
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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