Structure Info
- Chemspace ID
- CSMB15027761430 (Enamine MADE)
- IUPAC Name
- but-3-yn-2-yl 2,3,6-trifluorobenzoate
- Mol formula
- C11H7F3O2
- Mol weight
- 228 Da
- Catalog Number(s)
- BBV-1205583099, s_1458_8989680_26096502, s_1458____8989680____26096502
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.05
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB15027761430
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