Basic information
- Standard SMILES
CC(C#N)S(=O)(=O)CCC(F)(F)F- InChIKey
ZSFASHGQGYBEKH-UHFFFAOYSA-N- Molecular formula
- C6H8F3NO2S
- Average molar mass
- 215.2 g/mol
Names & identifiers
- Preferred name
- 2-(3,3,3-Trifluoropropylsulfonyl)propionitrile
- IUPAC
- 2-(3,3,3-trifluoropropylsulfonyl)propanenitrile
Names & synonyms
2-(3,3,3-trifluoropropylsulfonyl)propionitrileSCHEMBL1017307
Database identifiers
- PubChem CID
- 57788363
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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