4-(3-bromo-5-fluorophenoxy)piperidine

C11H13BrFNO — CID 81332214

IUPAC4-(3-bromo-5-fluorophenoxy)piperidine
SMILESFc1cc(Br)cc(OC2CCNCC2)c1
InChIInChI=1S/C11H13BrFNO/c12-8-5-9(13)7-11(6-8)15-10-1-3-14-4-2-10/h5-7,10,14H,1-4H2
InChIKeyDUDBTBDUHUFOGE-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.72
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)piperidine

4-(3-bromo-5-fluorophenoxy)piperidine (PubChem CID 81332214) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)piperidine
PubChem CID81332214
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-(3-bromo-5-fluorophenoxy)piperidine
SMILESFc1cc(Br)cc(OC2CCNCC2)c1
InChIInChI=1S/C11H13BrFNO/c12-8-5-9(13)7-11(6-8)15-10-1-3-14-4-2-10/h5-7,10,14H,1-4H2
InChIKeyDUDBTBDUHUFOGE-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)piperidine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)piperidine (CID 81332214) is 4-(3-bromo-5-fluorophenoxy)piperidine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)piperidine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)piperidine is Fc1cc(Br)cc(OC2CCNCC2)c1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)piperidine?
The InChIKey is DUDBTBDUHUFOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-5-9(13)7-11(6-8)15-10-1-3-14-4-2-10/h5-7,10,14H,1-4H2.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)piperidine?
4-(3-bromo-5-fluorophenoxy)piperidine has a molecular weight of 274.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)piperidine is sourced from PubChem (CID 81332214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).