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

C11H13BrFNO — CID 24902400

IUPAC3-(2-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCCNC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyUZDIDPRFBLNYIT-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.72
Rot. Bonds2

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

3-(2-bromo-4-fluorophenoxy)piperidine (PubChem CID 24902400) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)piperidine
PubChem CID24902400
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(2-bromo-4-fluorophenoxy)piperidine
SMILESFc1ccc(OC2CCCNC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyUZDIDPRFBLNYIT-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 3-(2-bromo-4-fluorophenoxy)piperidine?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)piperidine (CID 24902400) is 3-(2-bromo-4-fluorophenoxy)piperidine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)piperidine?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)piperidine is Fc1ccc(OC2CCCNC2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)piperidine?
The InChIKey is UZDIDPRFBLNYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)piperidine?
3-(2-bromo-4-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 3-(2-bromo-4-fluorophenoxy)piperidine is sourced from PubChem (CID 24902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).