1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine

C8H11F7N2 — CID 154281823

IUPAC1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine
SMILESFC(F)(F)C(F)(F)C(F)(F)CN1CCNCC1
InChIInChI=1S/C8H11F7N2/c9-6(10,7(11,12)8(13,14)15)5-17-3-1-16-2-4-17/h16H,1-5H2
InChIKeyOJGQENHCTGGTIR-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.72
Rot. Bonds3

About 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine

1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine (PubChem CID 154281823) has the molecular formula C8H11F7N2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine
PubChem CID154281823
Molecular FormulaC8H11F7N2
Molecular Weight268.18 g/mol
Exact Mass268.08
IUPAC Name1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine
SMILESFC(F)(F)C(F)(F)C(F)(F)CN1CCNCC1
InChIInChI=1S/C8H11F7N2/c9-6(10,7(11,12)8(13,14)15)5-17-3-1-16-2-4-17/h16H,1-5H2
InChIKeyOJGQENHCTGGTIR-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine?
The IUPAC name of 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine (CID 154281823) is 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine.
What is the SMILES notation for 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine?
The canonical SMILES for 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine is FC(F)(F)C(F)(F)C(F)(F)CN1CCNCC1.
What is the InChIKey of 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine?
The InChIKey is OJGQENHCTGGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7N2/c9-6(10,7(11,12)8(13,14)15)5-17-3-1-16-2-4-17/h16H,1-5H2.
What are the key properties of 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine?
1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine has a molecular weight of 268.18 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,4-heptafluorobutyl)piperazine is sourced from PubChem (CID 154281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).