Basic information
- CAS
34844-32-1- Standard SMILES
O=C(COc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
MHSNOMJSALEFCC-UHFFFAOYSA-N- Molecular formula
- C12H10F6O3
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 316.05341315
Names & identifiers
- Preferred name
- 2-Pentanone, 4-hydroxy-1-phenoxy-5,5,5-trifluoro-4-(trifluoromethyl)-
- IUPAC
- 5,5,5-trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)pentan-2-one
Names & synonyms
34844-32-12-Pentanone, 4-hydroxy-1-phenoxy-5,5,5-trifluoro-4-(trifluoromethyl)-NSC 162211BRN 2004588DTXSID601883984-Hydroxy-1-phenoxy-5,5,5-trifluoro-4-trifluoromethyl-2-pentanoneRefChem:264996DTXCID90110889NSC-1622112-Pentanone, 5,5,5-trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)-5,5,5-trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)pentan-2-oneNSC162211
Show more names
PS7TZS2RKL5,5,5-Trifluoro-4-hydroxy-1-phenoxy-4-(trifluoromethyl)-2-pentanone
Database identifiers
- CAS
34844-32-1- PubChem CID
- 98722
- DTXSID
DTXSID60188398- UNII
- PS7TZS2RKL
- Nikkaji
- J65.597J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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