(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine

C10H11Cl2FN2 — CID 86317470

IUPAC(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
SMILESFc1cc([C@H]2CNCCN2)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2FN2/c11-7-4-8(12)9(13)3-6(7)10-5-14-1-2-15-10/h3-4,10,14-15H,1-2,5H2/t10-/m1/s1
InChIKeyUXYATDLPBMRWFA-SNVBAGLBSA-N
MW249.12 g/mol
LogP2.37
Rot. Bonds1

About (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine

(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine (PubChem CID 86317470) has the molecular formula C10H11Cl2FN2 and a molecular weight of 249.12 g/mol. Its IUPAC name is (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
PubChem CID86317470
Molecular FormulaC10H11Cl2FN2
Molecular Weight249.12 g/mol
Exact Mass248.03
IUPAC Name(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
SMILESFc1cc([C@H]2CNCCN2)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2FN2/c11-7-4-8(12)9(13)3-6(7)10-5-14-1-2-15-10/h3-4,10,14-15H,1-2,5H2/t10-/m1/s1
InChIKeyUXYATDLPBMRWFA-SNVBAGLBSA-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

2-(2,5-difluoro-4-methoxyphenyl)piperazine
CID 116856206
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
CID 171194726
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
(2S)-2-(3-fluoro-2-methylphenyl)piperazine
CID 55264820
(2R)-2-(3-fluoro-2-methylphenyl)piperazine
CID 131101116
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
CID 171194542
5-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66518714
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
(2S)-2-(2-fluoro-5-nitrophenyl)piperazine
CID 171193757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine?
The IUPAC name of (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine (CID 86317470) is (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine.
What is the SMILES notation for (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine?
The canonical SMILES for (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine is Fc1cc([C@H]2CNCCN2)c(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine?
The InChIKey is UXYATDLPBMRWFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11Cl2FN2/c11-7-4-8(12)9(13)3-6(7)10-5-14-1-2-15-10/h3-4,10,14-15H,1-2,5H2/t10-/m1/s1.
What are the key properties of (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine?
(2S)-2-(2,4-dichloro-5-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 (2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine is sourced from PubChem (CID 86317470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).