5,5,6,6,6-Pentafluoro-2-(3,3,3-trifluoropropylsulfanyl)hexanenitrile
Basic information
- Standard SMILES
N#CC(CCC(F)(F)C(F)(F)F)SCCC(F)(F)F- InChIKey
MTGQCQXAHQPOSG-UHFFFAOYSA-N- Molecular formula
- C9H9F8NS
- Average molar mass
- 315.23 g/mol
- Monoisotopic mass
- 315.03279576
Names & identifiers
- Preferred name
- 5,5,6,6,6-Pentafluoro-2-(3,3,3-trifluoropropylsulfanyl)hexanenitrile
- IUPAC
- 5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfanyl)hexanenitrile
Names & synonyms
SCHEMBL2431539MTGQCQXAHQPOSG-UHFFFAOYSA-N5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfanyl)hexanenitrile
Database identifiers
- PubChem CID
- 57788388
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
3 records
Compound notes
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