1-(2,6-Dihydroxyphenyl)-2,2,2-trifluoro-ethanone
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Basic information
- CAS
70211-42-6- Standard SMILES
O=C(c1c(O)cccc1O)C(F)(F)F- InChIKey
ZHQYBVIRGLPYMR-UHFFFAOYSA-N- Molecular formula
- C8H5F3O3
- Average molar mass
- 206.12 g/mol
- Monoisotopic mass
- 206.0190785
Names & identifiers
- Preferred name
- 1-(2,6-Dihydroxyphenyl)-2,2,2-trifluoro-ethanone
- IUPAC
- 1-(2,6-dihydroxyphenyl)-2,2,2-trifluoroethanone
- English name
- Ethanone, 1-(2,6-dihydroxyphenyl)-2,2,2-trifluoro- (9CI)
- Molecular formula
- C8H5F3O3
- Molecular weight
- 206.12
Names & synonyms
1-(2,6-dihydroxyphenyl)-2,2,2-trifluoro-ethanone70211-42-6DTXSID30445708RefChem:222977DTXCID303965291-(2,6-Dihydroxyphenyl)-2,2,2-trifluoroethanoneSCHEMBL11436501ZHQYBVIRGLPYMR-UHFFFAOYSA-NDB-2759401-(2,6-Dihydroxyphenyl)-2,2,2-trifluoroethan-1-oneEthanone, 1-(2,6-dihydroxyphenyl)-2,2,2-trifluoro-Ethanone, 1-(2,6-dihydroxyphenyl)-2,2,2-trifluoro- (9CI)
Database identifiers
- CAS
70211-42-6- PubChem CID
- 10845926
- DTXSID
DTXSID30445708
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
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Compound notes
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