Basic information
- Standard SMILES
OCC1=CC=C(COc2ccccc2C(F)(F)F)SS1- InChIKey
LRCKHMGQBMFXPG-UHFFFAOYSA-N- Molecular formula
- C13H11F3O2S2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.01525642
Names & identifiers
- Preferred name
- [6-[[2-(Trifluoromethyl)phenoxy]methyl]dithiin-3-yl]methanol
- IUPAC
- [6-[[2-(trifluoromethyl)phenoxy]methyl]dithiin-3-yl]methanol
Names & synonyms
[6-[[2-(trifluoromethyl)phenoxy]methyl]dithiin-3-yl]methanolCHEMBL315228SCHEMBL88750563-(Hydroxymethyl)-6-[(2-trifluoromethylphenyloxy)methyl]-1,2-dithiin
Database identifiers
- PubChem CID
- 462632
- ChEMBL
CHEMBL315228- Nikkaji
- J687.192E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Related reactions
1 records
Compound notes
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