1-(3-chloro-2,4-difluorophenyl)piperazine

C10H11ClF2N2 — CID 83291434

IUPAC1-(3-chloro-2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCNCC2)c(F)c1Cl
InChIInChI=1S/C10H11ClF2N2/c11-9-7(12)1-2-8(10(9)13)15-5-3-14-4-6-15/h1-2,14H,3-6H2
InChIKeyNRGDQFXWQDHKOW-UHFFFAOYSA-N
MW232.66 g/mol
LogP2.03
Rot. Bonds1

About 1-(3-chloro-2,4-difluorophenyl)piperazine

1-(3-chloro-2,4-difluorophenyl)piperazine (PubChem CID 83291434) has the molecular formula C10H11ClF2N2 and a molecular weight of 232.66 g/mol. Its IUPAC name is 1-(3-chloro-2,4-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-2,4-difluorophenyl)piperazine
PubChem CID83291434
Molecular FormulaC10H11ClF2N2
Molecular Weight232.66 g/mol
Exact Mass232.06
IUPAC Name1-(3-chloro-2,4-difluorophenyl)piperazine
SMILESFc1ccc(N2CCNCC2)c(F)c1Cl
InChIInChI=1S/C10H11ClF2N2/c11-9-7(12)1-2-8(10(9)13)15-5-3-14-4-6-15/h1-2,14H,3-6H2
InChIKeyNRGDQFXWQDHKOW-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-difluorophenyl)piperazine?
The IUPAC name of 1-(3-chloro-2,4-difluorophenyl)piperazine (CID 83291434) is 1-(3-chloro-2,4-difluorophenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-2,4-difluorophenyl)piperazine?
The canonical SMILES for 1-(3-chloro-2,4-difluorophenyl)piperazine is Fc1ccc(N2CCNCC2)c(F)c1Cl.
What is the InChIKey of 1-(3-chloro-2,4-difluorophenyl)piperazine?
The InChIKey is NRGDQFXWQDHKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2/c11-9-7(12)1-2-8(10(9)13)15-5-3-14-4-6-15/h1-2,14H,3-6H2.
What are the key properties of 1-(3-chloro-2,4-difluorophenyl)piperazine?
1-(3-chloro-2,4-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-(3-chloro-2,4-difluorophenyl)piperazine is sourced from PubChem (CID 83291434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).