Basic information
- Standard SMILES
CC(Oc1ccc(C#N)nc1)C(F)(F)F- InChIKey
RNRUEAUJOGBRAZ-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O
- Average molar mass
- 216.16 g/mol
Names & identifiers
- Preferred name
- (+/-)-5-(2,2,2-Trifluoro-1-methyl-ethoxy)-pyridine-2-carbonitrile
- IUPAC
- 5-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carbonitrile
Names & synonyms
(+/-)-5-(2,2,2-Trifluoro-1-methyl-ethoxy)-pyridine-2-carbonitrileSCHEMBL506514
Database identifiers
- PubChem CID
- 57656409
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
5 records
Compound notes
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