1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine

C8H13F5N2 — CID 59648775

IUPAC1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine
SMILESCN1CCN(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H13F5N2/c1-14-2-4-15(5-3-14)6-7(9,10)8(11,12)13/h2-6H2,1H3
InChIKeyZONMEHHNSVUJJX-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.43
Rot. Bonds2

About 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine

1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine (PubChem CID 59648775) has the molecular formula C8H13F5N2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine
PubChem CID59648775
Molecular FormulaC8H13F5N2
Molecular Weight232.20 g/mol
Exact Mass232.10
IUPAC Name1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine
SMILESCN1CCN(CC(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H13F5N2/c1-14-2-4-15(5-3-14)6-7(9,10)8(11,12)13/h2-6H2,1H3
InChIKeyZONMEHHNSVUJJX-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine?
The IUPAC name of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine (CID 59648775) is 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine is CN1CCN(CC(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine?
The InChIKey is ZONMEHHNSVUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5N2/c1-14-2-4-15(5-3-14)6-7(9,10)8(11,12)13/h2-6H2,1H3.
What are the key properties of 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine?
1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine has a molecular weight of 232.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine is sourced from PubChem (CID 59648775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).