(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine

C10H11BrF2N2 — CID 131548332

IUPAC(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
SMILESFc1ccc(Br)c(F)c1[C@H]1CNCCN1
InChIInChI=1S/C10H11BrF2N2/c11-6-1-2-7(12)9(10(6)13)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m1/s1
InChIKeyHOOFGKOATHOKJE-MRVPVSSYSA-N
MW277.11 g/mol
LogP1.96
Rot. Bonds1

About (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine

(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine (PubChem CID 131548332) has the molecular formula C10H11BrF2N2 and a molecular weight of 277.11 g/mol. Its IUPAC name is (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
PubChem CID131548332
Molecular FormulaC10H11BrF2N2
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
SMILESFc1ccc(Br)c(F)c1[C@H]1CNCCN1
InChIInChI=1S/C10H11BrF2N2/c11-6-1-2-7(12)9(10(6)13)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m1/s1
InChIKeyHOOFGKOATHOKJE-MRVPVSSYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
CID 171194542
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
CID 171194726
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
4-bromo-2,3-difluoro-6-[(2S)-piperazin-2-yl]phenol
CID 131292726
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine?
The IUPAC name of (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine (CID 131548332) is (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine.
What is the SMILES notation for (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine?
The canonical SMILES for (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine is Fc1ccc(Br)c(F)c1[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine?
The InChIKey is HOOFGKOATHOKJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrF2N2/c11-6-1-2-7(12)9(10(6)13)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m1/s1.
What are the key properties of (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine?
(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine has a molecular weight of 277.11 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-2,6-difluorophenyl)piperazine is sourced from PubChem (CID 131548332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).