1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine

C13H24F3N3 — CID 116535679

IUPAC1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine
SMILESCC(CCCC(F)(F)F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H24F3N3/c1-11(3-2-4-13(14,15)16)19-9-12(10-19)18-7-5-17-6-8-18/h11-12,17H,2-10H2,1H3
InChIKeyJYFNOYDWMQZFTK-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.70
Rot. Bonds5

About 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine

1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine (PubChem CID 116535679) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine
PubChem CID116535679
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine
SMILESCC(CCCC(F)(F)F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H24F3N3/c1-11(3-2-4-13(14,15)16)19-9-12(10-19)18-7-5-17-6-8-18/h11-12,17H,2-10H2,1H3
InChIKeyJYFNOYDWMQZFTK-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine (CID 116535679) is 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine is CC(CCCC(F)(F)F)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine?
The InChIKey is JYFNOYDWMQZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-11(3-2-4-13(14,15)16)19-9-12(10-19)18-7-5-17-6-8-18/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine?
1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine has a molecular weight of 279.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,6,6-trifluorohexan-2-yl)azetidin-3-yl]piperazine is sourced from PubChem (CID 116535679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).