Basic information
- CAS
1261919-48-5- Standard SMILES
Oc1cc(OC(F)(F)F)cc(-c2ccsc2)c1- InChIKey
GUGCMXHFXCSRQZ-UHFFFAOYSA-N- Molecular formula
- C11H7F3O2S
- Average molar mass
- 260.23 g/mol
- Monoisotopic mass
- 260.01188512
Names & identifiers
- Preferred name
- 5-(Thiophen-3-YL)-3-trifluoromethoxyphenol
- IUPAC
- 3-thiophen-3-yl-5-(trifluoromethoxy)phenol
Names & synonyms
1261919-48-55-(THIOPHEN-3-YL)-3-TRIFLUOROMETHOXYPHENOLMFCD183161853-(Thiophen-3-yl)-5-(trifluoromethoxy)phenolDTXSID706864963-(3-thienyl)-5-(trifluoromethoxy)phenol3-thiophen-3-yl-5-(trifluoromethoxy)phenol5-(Thiophen-3-yl)-3-trifluoromethoxyphenol, 95%
Database identifiers
- CAS
1261919-48-5- PubChem CID
- 53221908
- DTXSID
DTXSID70686496
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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