3-(3-Chloro-4-fluorophenoxy)piperidine

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Basic information

CAS: 946759-15-5
Standard SMILES: Fc1ccc(OC2CCCNC2)cc1Cl
InChIKey: NPTBCZJXGMWMFA-UHFFFAOYSA-N
Molecular formula: C11H13ClFNO
Average molar mass: 229.68 g/mol
Monoisotopic mass: 229.0669699

Names & identifiers

Preferred name: 3-(3-Chloro-4-fluorophenoxy)piperidine
IUPAC: 3-(3-chloro-4-fluorophenoxy)piperidine
English name: 3-(3-Chloro-4-fluorophenoxy)piperidine
Molecular formula: C11H13ClFNO
Molecular weight: 229.68

Names & synonyms

3-(3-Chloro-4-fluorophenoxy)piperidine946759-15-5DTXSID50663028AKOS013193709CS-0271351EN300-1982437Piperidine, 3-(3-chloro-4-fluorophenoxy)-

Database identifiers

CAS: 946759-15-5
PubChem CID: 45075401
DTXSID: DTXSID50663028

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 205

Physicochemical properties

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

Related reactions

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Compound notes

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