1-[4-Fluoro-3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
Basic information
- CAS
827322-82-7- Standard SMILES
N#CC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1- InChIKey
LOVLKMONSLDXBS-UHFFFAOYSA-N- Molecular formula
- C13H12F4N2
- Average molar mass
- 272.24 g/mol
- Monoisotopic mass
- 272.09366104
Names & identifiers
- Preferred name
- 1-[4-Fluoro-3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
- IUPAC
- 1-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
Names & synonyms
1-[4-Fluoro-3-(trifluoromethyl)phenyl]piperidine-4-carbonitrile827322-82-7SCHEMBL6238899DTXSID40741182LOVLKMONSLDXBS-UHFFFAOYSA-N
Database identifiers
- CAS
827322-82-7- PubChem CID
- 69716447
- DTXSID
DTXSID40741182
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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