4-(4-bromo-2,5-difluorophenoxy)piperidine

C11H12BrF2NO — CID 168665362

IUPAC4-(4-bromo-2,5-difluorophenoxy)piperidine
SMILESFc1cc(OC2CCNCC2)c(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyAWOFWJTVWODMLD-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.86
Rot. Bonds2

About 4-(4-bromo-2,5-difluorophenoxy)piperidine

4-(4-bromo-2,5-difluorophenoxy)piperidine (PubChem CID 168665362) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-(4-bromo-2,5-difluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(4-bromo-2,5-difluorophenoxy)piperidine
PubChem CID168665362
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name4-(4-bromo-2,5-difluorophenoxy)piperidine
SMILESFc1cc(OC2CCNCC2)c(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyAWOFWJTVWODMLD-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-(4-bromo-2,5-dimethylphenoxy)piperidine
CID 84715274
4-(2,5-difluorophenoxy)azepane
CID 63905212
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(2-bromo-4,5-difluorophenoxy)cyclohexan-1-ol
CID 59321670
3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
4-(2,5-dibromo-4-methoxyphenoxy)azepane
CID 79404103
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-difluorophenoxy)piperidine?
The IUPAC name of 4-(4-bromo-2,5-difluorophenoxy)piperidine (CID 168665362) is 4-(4-bromo-2,5-difluorophenoxy)piperidine.
What is the SMILES notation for 4-(4-bromo-2,5-difluorophenoxy)piperidine?
The canonical SMILES for 4-(4-bromo-2,5-difluorophenoxy)piperidine is Fc1cc(OC2CCNCC2)c(F)cc1Br.
What is the InChIKey of 4-(4-bromo-2,5-difluorophenoxy)piperidine?
The InChIKey is AWOFWJTVWODMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-8-5-10(14)11(6-9(8)13)16-7-1-3-15-4-2-7/h5-7,15H,1-4H2.
What are the key properties of 4-(4-bromo-2,5-difluorophenoxy)piperidine?
4-(4-bromo-2,5-difluorophenoxy)piperidine has a molecular weight of 292.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-difluorophenoxy)piperidine is sourced from PubChem (CID 168665362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).