2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
Basic information
- CAS
100700-42-3- Standard SMILES
O=C(c1ccccc1)C(Cl)C(O)(C(F)(F)F)C(F)(F)F- InChIKey
UJWHSVKCFXWUQT-UHFFFAOYSA-N- Molecular formula
- C11H7ClF6O2
- Average molar mass
- 320.61 g/mol
- Monoisotopic mass
- 320.0038761
Names & identifiers
- Preferred name
- 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
- IUPAC
- 2-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
Names & synonyms
100700-42-3DTXSID909056962-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-oneRefChem:1062762DTXCID701334798BUTYROPHENONE, 2-CHLORO-3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-NSC1621841-Butanone, 2-chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-2-Chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1-butanoneNSC-1621841-Butanone, 2-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-
Database identifiers
- CAS
100700-42-3- PubChem CID
- 57994
- DTXSID
DTXSID90905696- Nikkaji
- J67.441I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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