2-(2-bromo-3,4-difluorophenyl)piperidine

C11H12BrF2N — CID 84714328

IUPAC2-(2-bromo-3,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCCCN2)c(Br)c1F
InChIInChI=1S/C11H12BrF2N/c12-10-7(4-5-8(13)11(10)14)9-3-1-2-6-15-9/h4-5,9,15H,1-3,6H2
InChIKeyIDFLDNCFQAPLEH-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.54
Rot. Bonds1

About 2-(2-bromo-3,4-difluorophenyl)piperidine

2-(2-bromo-3,4-difluorophenyl)piperidine (PubChem CID 84714328) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)piperidine
PubChem CID84714328
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-(2-bromo-3,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCCCN2)c(Br)c1F
InChIInChI=1S/C11H12BrF2N/c12-10-7(4-5-8(13)11(10)14)9-3-1-2-6-15-9/h4-5,9,15H,1-3,6H2
InChIKeyIDFLDNCFQAPLEH-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
2-(4-bromo-2-fluoro-3-methylphenyl)piperidine
CID 117432838
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)piperidine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)piperidine (CID 84714328) is 2-(2-bromo-3,4-difluorophenyl)piperidine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)piperidine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)piperidine is Fc1ccc(C2CCCCN2)c(Br)c1F.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)piperidine?
The InChIKey is IDFLDNCFQAPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-10-7(4-5-8(13)11(10)14)9-3-1-2-6-15-9/h4-5,9,15H,1-3,6H2.
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)piperidine?
2-(2-bromo-3,4-difluorophenyl)piperidine has a molecular weight of 276.12 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)piperidine is sourced from PubChem (CID 84714328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).