Structure Info
- Chemspace ID
- CSMB00012595728 (Enamine MADE)
- MFCD
- MFCD21950347
- IUPAC Name
- 3,3,3-trifluoro-2-methanesulfonylpropanenitrile
- Mol formula
- C4H4F3NO2S
- Mol weight
- 187 Da
- Catalog Number(s)
- BBV-41964717, CSC012595728, IMED1333109176
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.14
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012595728
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