2-(4,4-Difluoropiperidin-1-YL)-2-phenylacetonitrile
Basic information
- CAS
1226998-22-6- Standard SMILES
N#CC(c1ccccc1)N1CCC(F)(F)CC1- InChIKey
DPTQIWCUTDHOIM-UHFFFAOYSA-N- Molecular formula
- C13H14F2N2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.11250478
Names & identifiers
- Preferred name
- 2-(4,4-Difluoropiperidin-1-YL)-2-phenylacetonitrile
- IUPAC
- 2-(4,4-difluoropiperidin-1-yl)-2-phenylacetonitrile
- English name
- 2-(4,4-Difluoropiperidin-1-yl)-2-phenylacetonitrile
- Molecular formula
- C13H14F2N2
- Molecular weight
- 236.26
Names & synonyms
2-(4,4-DIFLUOROPIPERIDIN-1-YL)-2-PHENYLACETONITRILE1226998-22-6(4,4-difluoropiperidin-1-yl)(phenyl)acetonitrileSCHEMBL2406156DTXSID00697439DB-2918071-Piperidineacetonitrile, 4,4-difluoro-α-phenyl-
Database identifiers
- CAS
1226998-22-6- PubChem CID
- 53418752
- DTXSID
DTXSID00697439
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Related reactions
2 records
Compound notes
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