2-(3,4-Difluorophenyl)piperidine
Basic information
- CAS
1016760-10-3- Standard SMILES
Fc1ccc(C2CCCCN2)cc1F- InChIKey
ZXLYENXDZMAUOV-UHFFFAOYSA-N- Molecular formula
- C11H13F2N
- Average molar mass
- 197.22 g/mol
- Monoisotopic mass
- 197.10160574
Names & identifiers
- Preferred name
- 2-(3,4-Difluorophenyl)piperidine
- IUPAC
- 2-(3,4-difluorophenyl)piperidine
- English name
- 2-(3,4-difluorophenyl)piperidine
- Molecular formula
- C11H13F2N
- Molecular weight
- 197.22
Names & synonyms
2-(3,4-difluorophenyl)piperidine1016760-10-3SCHEMBL1765187SCHEMBL8531757AKOS000174497EN300-1153338Piperidine, 2-(3,4-difluorophenyl)-
Database identifiers
- CAS
1016760-10-3- PubChem CID
- 23203369
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 252.7 · 252.7±40.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.10(Predicted)
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Compound notes
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