Structure Info
- Chemspace ID
- CSMB14856920250 (Enamine MADE)
- IUPAC Name
- 3-methylheptan-4-yl 2,3,6-trifluorobenzoate
- Mol formula
- C15H19F3O2
- Mol weight
- 288 Da
- Catalog Number(s)
- BBV-1024246493
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.48
- Heavy atoms count
- 20
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.533
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB14856920250
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