(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine

C10H11Cl2FN2 — CID 171194726

IUPAC(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
SMILESFc1c(Cl)ccc(Cl)c1[C@@H]1CNCCN1
InChIInChI=1S/C10H11Cl2FN2/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m0/s1
InChIKeySJWQIGSXLQDHHM-QMMMGPOBSA-N
MW249.12 g/mol
LogP2.37
Rot. Bonds1

About (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine

(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine (PubChem CID 171194726) has the molecular formula C10H11Cl2FN2 and a molecular weight of 249.12 g/mol. Its IUPAC name is (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
PubChem CID171194726
Molecular FormulaC10H11Cl2FN2
Molecular Weight249.12 g/mol
Exact Mass248.03
IUPAC Name(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
SMILESFc1c(Cl)ccc(Cl)c1[C@@H]1CNCCN1
InChIInChI=1S/C10H11Cl2FN2/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m0/s1
InChIKeySJWQIGSXLQDHHM-QMMMGPOBSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 52.37
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

(2S)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193868
(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
CID 171194627
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
CID 171194542
(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
CID 131548332
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
CID 86317470
(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
CID 171252831
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine?
The IUPAC name of (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine (CID 171194726) is (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine.
What is the SMILES notation for (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine?
The canonical SMILES for (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine is Fc1c(Cl)ccc(Cl)c1[C@@H]1CNCCN1.
What is the InChIKey of (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine?
The InChIKey is SJWQIGSXLQDHHM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11Cl2FN2/c11-6-1-2-7(12)10(13)9(6)8-5-14-3-4-15-8/h1-2,8,14-15H,3-5H2/t8-/m0/s1.
What are the key properties of (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine?
(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine has a molecular weight of 249.12 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine is sourced from PubChem (CID 171194726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).