4,4,4-Trifluoro-3-hydroxy-1-(4-nitrophenyl)-3-(trifluoromethyl)butan-1-one
Basic information
- CAS
34844-17-2- Standard SMILES
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1- InChIKey
AJSAARODUVUXAJ-UHFFFAOYSA-N- Molecular formula
- C11H7F6NO4
- Average molar mass
- 331.17 g/mol
- Monoisotopic mass
- 331.02792668
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-hydroxy-1-(4-nitrophenyl)-3-(trifluoromethyl)butan-1-one
- IUPAC
- 4,4,4-trifluoro-3-hydroxy-1-(4-nitrophenyl)-3-(trifluoromethyl)butan-1-one
Names & synonyms
34844-17-24,4,4-trifluoro-3-hydroxy-1-(4-nitrophenyl)-3-(trifluoromethyl)butan-1-oneNSC160204DTXSID40303688NSC-1602041-Butanone, 4,4,4-trifluoro-3-hydroxy-1-(4-nitrophenyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
34844-17-2- PubChem CID
- 293553
- DTXSID
DTXSID40303688
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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