Basic information
- CAS
453-33-8- Standard SMILES
CC(=O)C=C(O)C(F)(F)F- InChIKey
HZWABPCDJWBJSC-UHFFFAOYSA-N- Molecular formula
- C5H5F3O2
- Average molar mass
- 154.09 g/mol
- Monoisotopic mass
- 154.02416388
Names & identifiers
- Preferred name
- 5,5,5-Trifluoro-4-hydroxy-3-penten-2-one
- IUPAC
- 5,5,5-trifluoro-4-hydroxypent-3-en-2-one
- English name
- 3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-
- Molecular formula
- C5H5F3O2
- Molecular weight
- 154.09
Names & synonyms
5,5,5-trifluoro-4-hydroxy-3-penten-2-one453-33-8RefChem:2982113-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-, (3Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one144864-94-8SCHEMBL881148SCHEMBL4458805GEGQNWRDBRXWDX-IHWYPQMZSA-MGEGQNWRDBRXWDX-UHFFFAOYSA-NDTXSID801273929158072-57-2
Show more names
3-Penten-2-one, 5,5,5-trifluoro-4-hydroxy-
Database identifiers
- CAS
453-33-8- PubChem CID
- 84355
- DTXSID
DTXSID801273929
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 195.6 · 195.6±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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