Basic information
- CAS
100513-54-0- Standard SMILES
ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1- InChIKey
ITGUSLGHWMHJRN-UHFFFAOYSA-N- Molecular formula
- C9H7F6NO2S
- Average molar mass
- 307.21 g/mol
- Monoisotopic mass
- 307.01016861
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime
- IUPAC
- 1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol
Names & synonyms
100513-54-04,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oximeDTXSID901141286NCI60_0011851,1,1-trifluoro-4-(hydroxyimino)-4-(thiophen-2-yl)-2-(trifluoromethyl)butan-2-ol
Database identifiers
- CAS
100513-54-0- PubChem CID
- 57935
- DTXSID
DTXSID901141286
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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