sodium--1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate (1/1)
Chemical Structure Depiction of
sodium--1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate (1/1)
sodium--1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate (1/1)
Compound characteristics
| Compound ID: | Y503-3083 |
| Compound Name: | sodium--1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate (1/1) |
| Molecular Weight: | 258.19 |
| Molecular Formula: | C9 H6 F3 O2 S |
| Salt: | Na+ |
| Smiles: | Cc1ccc(C(\C=C(/C(F)(F)F)[O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8513 |
| logD: | 2.8513 |
| logSw: | -3.0088 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.065 |
| InChI Key: | QVLKWIBADRVARB-XBXARRHUSA-M |