Basic information
- Standard SMILES
C#CCCCCCCC(C#N)S(=O)(=O)CCC(F)(F)F- InChIKey
ZMQCIBLOZPSBDB-UHFFFAOYSA-N- Molecular formula
- C13H18F3NO2S
- Average molar mass
- 309.35 g/mol
Names & identifiers
- Preferred name
- 2-(3,3,3-Trifluoropropylsulfonyl)-9-decynenitrile
- IUPAC
- 2-(3,3,3-trifluoropropylsulfonyl)dec-9-ynenitrile
Names & synonyms
2-(3,3,3-trifluoropropylsulfonyl)-9-decynenitrileSCHEMBL1017479
Database identifiers
- PubChem CID
- 86642986
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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