Basic information
- CAS
855524-49-1- Standard SMILES
O=C(C=C(O)c1ccc(I)cc1)C(F)(F)F- InChIKey
RBWFGYMNVISIRU-UHFFFAOYSA-N- Molecular formula
- C10H6F3IO2
- Average molar mass
- 342.05 g/mol
- Monoisotopic mass
- 341.93646
Names & identifiers
- Preferred name
- 2-Buten-1-one, 4,4,4-trifluoro-3-hydroxy-1-(4-iodophenyl)-
- IUPAC
- 1,1,1-trifluoro-4-hydroxy-4-(4-iodophenyl)but-3-en-2-one
Names & synonyms
2-Buten-1-one, 4,4,4-trifluoro-3-hydroxy-1-(4-iodophenyl)-855524-49-11,1,1-trifluoro-4-hydroxy-4-(4-iodophenyl)but-3-en-2-oneDTXSID90428057ZNPWDQYQZSTYQW-UITAMQMPSA-N
Database identifiers
- CAS
855524-49-1- PubChem CID
- 7147129
- DTXSID
DTXSID90428057
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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