3-(2-Chloro-4-fluorophenoxy)piperidine
Basic information
- CAS
946680-99-5- Standard SMILES
Fc1ccc(OC2CCCNC2)c(Cl)c1- InChIKey
RXOAMMSCBMWHSC-UHFFFAOYSA-N- Molecular formula
- C11H13ClFNO
- Average molar mass
- 229.68 g/mol
- Monoisotopic mass
- 229.0669699
Names & identifiers
- Preferred name
- 3-(2-Chloro-4-fluorophenoxy)piperidine
- IUPAC
- 3-(2-chloro-4-fluorophenoxy)piperidine
- English name
- 3-(2-Chloro-4-fluorophenoxy)piperidine
- Molecular formula
- C11H13ClFNO
- Molecular weight
- 229.68
Names & synonyms
3-(2-Chloro-4-fluorophenoxy)piperidine946680-99-5SCHEMBL255329DTXSID00663018AKOS010951076CS-0271346EN300-1964918Piperidine, 3-(2-chloro-4-fluorophenoxy)-
Database identifiers
- CAS
946680-99-5- PubChem CID
- 45075385
- DTXSID
DTXSID00663018
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 318.5 · 318.5±42.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 8.96 · 8.96±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…