2-(Dimethylamino)-4-(trifluoromethyl)benzonitrile
Basic information
- CAS
689148-14-9- Standard SMILES
CN(C)c1cc(C(F)(F)F)ccc1C#N- InChIKey
OMGYFCWOUMODTJ-UHFFFAOYSA-N- Molecular formula
- C10H9F3N2
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 214.07178278
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2-(dimethylamino)-4-(trifluoromethyl)benzonitrile
Names & synonyms
2-(dimethylamino)-4-(trifluoromethyl)benzonitrile689148-14-9SCHEMBL2486239DTXSID801233006Benzonitrile, 2-(dimethylamino)-4-(trifluoromethyl)-
Database identifiers
- CAS
689148-14-9- PubChem CID
- 67425791
- DTXSID
DTXSID801233006
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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