1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine

C9H17F2N3 — CID 66202573

IUPAC1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C9H17F2N3/c10-9(11)7-13-1-3-14(4-2-13)8-5-12-6-8/h8-9,12H,1-7H2
InChIKeyWBIIMIIULUUSCA-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.16
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine

1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine (PubChem CID 66202573) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
PubChem CID66202573
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
SMILESFC(F)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C9H17F2N3/c10-9(11)7-13-1-3-14(4-2-13)8-5-12-6-8/h8-9,12H,1-7H2
InChIKeyWBIIMIIULUUSCA-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine (CID 66202573) is 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine is FC(F)CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine?
The InChIKey is WBIIMIIULUUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c10-9(11)7-13-1-3-14(4-2-13)8-5-12-6-8/h8-9,12H,1-7H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine?
1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine has a molecular weight of 205.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine is sourced from PubChem (CID 66202573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).