4-(2-chloro-3-fluorophenoxy)piperidine

C11H13ClFNO — CID 154662449

IUPAC4-(2-chloro-3-fluorophenoxy)piperidine
SMILESFc1cccc(OC2CCNCC2)c1Cl
InChIInChI=1S/C11H13ClFNO/c12-11-9(13)2-1-3-10(11)15-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2
InChIKeyHMIOWOMWJVVCLT-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds2

About 4-(2-chloro-3-fluorophenoxy)piperidine

4-(2-chloro-3-fluorophenoxy)piperidine (PubChem CID 154662449) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenoxy)piperidine
PubChem CID154662449
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-(2-chloro-3-fluorophenoxy)piperidine
SMILESFc1cccc(OC2CCNCC2)c1Cl
InChIInChI=1S/C11H13ClFNO/c12-11-9(13)2-1-3-10(11)15-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2
InChIKeyHMIOWOMWJVVCLT-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenoxy)piperidine?
The IUPAC name of 4-(2-chloro-3-fluorophenoxy)piperidine (CID 154662449) is 4-(2-chloro-3-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenoxy)piperidine?
The canonical SMILES for 4-(2-chloro-3-fluorophenoxy)piperidine is Fc1cccc(OC2CCNCC2)c1Cl.
What is the InChIKey of 4-(2-chloro-3-fluorophenoxy)piperidine?
The InChIKey is HMIOWOMWJVVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-11-9(13)2-1-3-10(11)15-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2.
What are the key properties of 4-(2-chloro-3-fluorophenoxy)piperidine?
4-(2-chloro-3-fluorophenoxy)piperidine has a molecular weight of 229.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenoxy)piperidine is sourced from PubChem (CID 154662449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).