1-(azetidin-3-yl)-4,4-difluoropiperidine

C8H14F2N2 — CID 59605315

IUPAC1-(azetidin-3-yl)-4,4-difluoropiperidine
SMILESFC1(F)CCN(C2CNC2)CC1
InChIInChI=1S/C8H14F2N2/c9-8(10)1-3-12(4-2-8)7-5-11-6-7/h7,11H,1-6H2
InChIKeyOIQJXEUDXZJIRR-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.69
Rot. Bonds1

About 1-(azetidin-3-yl)-4,4-difluoropiperidine

1-(azetidin-3-yl)-4,4-difluoropiperidine (PubChem CID 59605315) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4,4-difluoropiperidine
PubChem CID59605315
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-(azetidin-3-yl)-4,4-difluoropiperidine
SMILESFC1(F)CCN(C2CNC2)CC1
InChIInChI=1S/C8H14F2N2/c9-8(10)1-3-12(4-2-8)7-5-11-6-7/h7,11H,1-6H2
InChIKeyOIQJXEUDXZJIRR-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4,4-difluoropiperidine?
The IUPAC name of 1-(azetidin-3-yl)-4,4-difluoropiperidine (CID 59605315) is 1-(azetidin-3-yl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(azetidin-3-yl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(azetidin-3-yl)-4,4-difluoropiperidine is FC1(F)CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4,4-difluoropiperidine?
The InChIKey is OIQJXEUDXZJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)1-3-12(4-2-8)7-5-11-6-7/h7,11H,1-6H2.
What are the key properties of 1-(azetidin-3-yl)-4,4-difluoropiperidine?
1-(azetidin-3-yl)-4,4-difluoropiperidine has a molecular weight of 176.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4,4-difluoropiperidine is sourced from PubChem (CID 59605315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).