Basic information
- Standard SMILES
CC(c1ccnc(C#N)c1)C(F)(F)F- InChIKey
XLNHHVNIIYEKEH-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2
- Average molar mass
- 200.16 g/mol
Names & identifiers
- Preferred name
- 4-(2,2,2-Trifluoro-1-methyl-ethyl)pyridine-2-carbonitrile
- IUPAC
- 4-(1,1,1-trifluoropropan-2-yl)pyridine-2-carbonitrile
Names & synonyms
4-(2,2,2-trifluoro-1-methyl-ethyl)pyridine-2-carbonitrileSCHEMBL2332728
Database identifiers
- PubChem CID
- 59570359
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
4 records
Compound notes
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