1-(4-chloro-3,5-difluorophenyl)piperazine

C10H11ClF2N2 — CID 84795776

IUPAC1-(4-chloro-3,5-difluorophenyl)piperazine
SMILESFc1cc(N2CCNCC2)cc(F)c1Cl
InChIInChI=1S/C10H11ClF2N2/c11-10-8(12)5-7(6-9(10)13)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyHEZUSVOMEYMXIM-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.03
Rot. Bonds1

About 1-(4-chloro-3,5-difluorophenyl)piperazine

1-(4-chloro-3,5-difluorophenyl)piperazine (PubChem CID 84795776) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 1-(4-chloro-3,5-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3,5-difluorophenyl)piperazine
PubChem CID84795776
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name1-(4-chloro-3,5-difluorophenyl)piperazine
SMILESFc1cc(N2CCNCC2)cc(F)c1Cl
InChIInChI=1S/C10H11ClF2N2/c11-10-8(12)5-7(6-9(10)13)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyHEZUSVOMEYMXIM-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1-(3,4-difluorophenyl)piperazine
CID 2783122
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
CID 84802721
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-[3-fluoro-5-(2-fluorophenyl)phenyl]piperazine
CID 11708865
1-(3,5-dibromophenyl)piperazine
CID 21331858
1-(3-chloro-2,4-difluorophenyl)piperazine
CID 83291434
1-(2-chloro-6-iodo-4-pyridinyl)piperazine
CID 86054641
1-(3-fluoro-4-methylsulfonylphenyl)piperazine
CID 69037581

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-difluorophenyl)piperazine?
The IUPAC name of 1-(4-chloro-3,5-difluorophenyl)piperazine (CID 84795776) is 1-(4-chloro-3,5-difluorophenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-3,5-difluorophenyl)piperazine?
The canonical SMILES for 1-(4-chloro-3,5-difluorophenyl)piperazine is Fc1cc(N2CCNCC2)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-difluorophenyl)piperazine?
The InChIKey is HEZUSVOMEYMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c11-10-8(12)5-7(6-9(10)13)15-3-1-14-2-4-15/h5-6,14H,1-4H2.
What are the key properties of 1-(4-chloro-3,5-difluorophenyl)piperazine?
1-(4-chloro-3,5-difluorophenyl)piperazine has a molecular weight of 232.66 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-difluorophenyl)piperazine is sourced from PubChem (CID 84795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).