1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C11H18F3N3O2 — CID 103209576

IUPAC1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)8-19-7-10(18)17-3-1-16(2-4-17)9-5-15-6-9/h9,15H,1-8H2
InChIKeyYQFJJTNEQYBBBO-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.32
Rot. Bonds4

About 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103209576) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103209576
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)8-19-7-10(18)17-3-1-16(2-4-17)9-5-15-6-9/h9,15H,1-8H2
InChIKeyYQFJJTNEQYBBBO-UHFFFAOYSA-N
XLogP-0.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103209576) is 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is YQFJJTNEQYBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)8-19-7-10(18)17-3-1-16(2-4-17)9-5-15-6-9/h9,15H,1-8H2.
What are the key properties of 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 281.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103209576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).