3,3-difluoro-1-propylpiperazine

C7H14F2N2 — CID 130434381

IUPAC3,3-difluoro-1-propylpiperazine
SMILESCCCN1CCNC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-2-4-11-5-3-10-7(8,9)6-11/h10H,2-6H2,1H3
InChIKeyWXUFIFCYXWARPI-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.89
Rot. Bonds2

About 3,3-difluoro-1-propylpiperazine

3,3-difluoro-1-propylpiperazine (PubChem CID 130434381) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,3-difluoro-1-propylpiperazine.

Molecular Properties

Compound Name3,3-difluoro-1-propylpiperazine
PubChem CID130434381
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name3,3-difluoro-1-propylpiperazine
SMILESCCCN1CCNC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-2-4-11-5-3-10-7(8,9)6-11/h10H,2-6H2,1H3
InChIKeyWXUFIFCYXWARPI-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylpiperazine?
The IUPAC name of 3,3-difluoro-1-propylpiperazine (CID 130434381) is 3,3-difluoro-1-propylpiperazine.
What is the SMILES notation for 3,3-difluoro-1-propylpiperazine?
The canonical SMILES for 3,3-difluoro-1-propylpiperazine is CCCN1CCNC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propylpiperazine?
The InChIKey is WXUFIFCYXWARPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-2-4-11-5-3-10-7(8,9)6-11/h10H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-propylpiperazine?
3,3-difluoro-1-propylpiperazine has a molecular weight of 164.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylpiperazine is sourced from PubChem (CID 130434381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).