3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one

C7H11F3N2O — CID 16777605

IUPAC3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyRUISULBDMIMYAZ-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds1

About 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one

3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (PubChem CID 16777605) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
PubChem CID16777605
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
InChIKeyRUISULBDMIMYAZ-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one (CID 16777605) is 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is O=C(CC(F)(F)F)N1CCNCC1.
What is the InChIKey of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
The InChIKey is RUISULBDMIMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2.
What are the key properties of 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one?
3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one has a molecular weight of 196.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 16777605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).