(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride

C10H10ClF5N2 — CID 171194542

IUPAC(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1c(F)c(F)c([C@@H]2CNCCN2)c(F)c1F
InChIInChI=1S/C10H9F5N2.ClH/c11-6-5(4-3-16-1-2-17-4)7(12)9(14)10(15)8(6)13;/h4,16-17H,1-3H2;1H/t4-;/m0./s1
InChIKeyUUWQSXRDJJKADJ-WCCKRBBISA-N
MW288.65 g/mol
LogP2.04
Rot. Bonds1

About (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride

(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride (PubChem CID 171194542) has the molecular formula C10H10ClF5N2 and a molecular weight of 288.65 g/mol. Its IUPAC name is (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
PubChem CID171194542
Molecular FormulaC10H10ClF5N2
Molecular Weight288.65 g/mol
Exact Mass288.05
IUPAC Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1c(F)c(F)c([C@@H]2CNCCN2)c(F)c1F
InChIInChI=1S/C10H9F5N2.ClH/c11-6-5(4-3-16-1-2-17-4)7(12)9(14)10(15)8(6)13;/h4,16-17H,1-3H2;1H/t4-;/m0./s1
InChIKeyUUWQSXRDJJKADJ-WCCKRBBISA-N
XLogP2.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,6-dichloro-2-fluorophenyl)piperazine
CID 171194726
(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
CID 131548332
(2S)-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193868
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
(2R)-2-(2,3,6-trichlorophenyl)piperazine;hydrochloride
CID 171194627
3-chloro-6-fluoro-2-[(2S)-piperazin-2-yl]phenol
CID 171259613
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333
2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193540
4-bromo-2,3-difluoro-6-[(2S)-piperazin-2-yl]phenol
CID 131292726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride (CID 171194542) is (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride is Cl.Fc1c(F)c(F)c([C@@H]2CNCCN2)c(F)c1F.
What is the InChIKey of (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride?
The InChIKey is UUWQSXRDJJKADJ-WCCKRBBISA-N. The full InChI is InChI=1S/C10H9F5N2.ClH/c11-6-5(4-3-16-1-2-17-4)7(12)9(14)10(15)8(6)13;/h4,16-17H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride?
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride has a molecular weight of 288.65 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).