(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C12H19F2N3O — CID 137444482

IUPAC(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C12H19F2N3O/c1-2-15-5-9-3-4-10(6-15)17(9)11(18)16-7-12(13,14)8-16/h9-10H,2-8H2,1H3
InChIKeyXNTAVKFMZJIFJM-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.23
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 137444482) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID137444482
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C12H19F2N3O/c1-2-15-5-9-3-4-10(6-15)17(9)11(18)16-7-12(13,14)8-16/h9-10H,2-8H2,1H3
InChIKeyXNTAVKFMZJIFJM-UHFFFAOYSA-N
XLogP1.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 137444482) is (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CCN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is XNTAVKFMZJIFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-2-15-5-9-3-4-10(6-15)17(9)11(18)16-7-12(13,14)8-16/h9-10H,2-8H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 259.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 137444482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).