1-(azetidin-3-yl)-3,3-difluoropyrrolidine

C7H12F2N2 — CID 59605385

IUPAC1-(azetidin-3-yl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(C2CNC2)C1
InChIInChI=1S/C7H12F2N2/c8-7(9)1-2-11(5-7)6-3-10-4-6/h6,10H,1-5H2
InChIKeyXHHYGYVKHQAJTJ-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.30
Rot. Bonds1

About 1-(azetidin-3-yl)-3,3-difluoropyrrolidine

1-(azetidin-3-yl)-3,3-difluoropyrrolidine (PubChem CID 59605385) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3,3-difluoropyrrolidine
PubChem CID59605385
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(azetidin-3-yl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(C2CNC2)C1
InChIInChI=1S/C7H12F2N2/c8-7(9)1-2-11(5-7)6-3-10-4-6/h6,10H,1-5H2
InChIKeyXHHYGYVKHQAJTJ-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.30
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)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(azetidin-3-yl)-3,3-difluoropyrrolidine (CID 59605385) is 1-(azetidin-3-yl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(azetidin-3-yl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(azetidin-3-yl)-3,3-difluoropyrrolidine is FC1(F)CCN(C2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-3,3-difluoropyrrolidine?
The InChIKey is XHHYGYVKHQAJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)1-2-11(5-7)6-3-10-4-6/h6,10H,1-5H2.
What are the key properties of 1-(azetidin-3-yl)-3,3-difluoropyrrolidine?
1-(azetidin-3-yl)-3,3-difluoropyrrolidine has a molecular weight of 162.18 g/mol, XLogP of 0.30, 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)-3,3-difluoropyrrolidine is sourced from PubChem (CID 59605385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).