Basic information
- CAS
647839-61-0- Standard SMILES
N#CC(C#N)(CCCC(F)(F)F)Cc1ccc(Cl)nc1- InChIKey
IDJQJZYSSRBMDB-UHFFFAOYSA-N- Molecular formula
- C13H11ClF3N3
- Average molar mass
- 301.69 g/mol
- Monoisotopic mass
- 301.0593595
Names & identifiers
- Preferred name
- [(6-Chloropyridin-3-yl)methyl](4,4,4-trifluorobutyl)propanedinitrile
- IUPAC
- 2-[(6-chloro-3-pyridinyl)methyl]-2-(4,4,4-trifluorobutyl)propanedinitrile
Names & synonyms
647839-61-0[(6-Chloropyridin-3-yl)methyl](4,4,4-trifluorobutyl)propanedinitrileDTXSID40801351
Database identifiers
- CAS
647839-61-0- PubChem CID
- 71378747
- DTXSID
DTXSID40801351
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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