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

C11H18F2N4O — CID 162614635

IUPAC(3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESCNN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H18F2N4O/c1-14-16-4-8-2-3-9(5-16)17(8)10(18)15-6-11(12,13)7-15/h8-9,14H,2-7H2,1H3
InChIKeyUQWZINIIUCBWMT-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.34
Rot. Bonds1

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

(3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 162614635) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID162614635
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESCNN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H18F2N4O/c1-14-16-4-8-2-3-9(5-16)17(8)10(18)15-6-11(12,13)7-15/h8-9,14H,2-7H2,1H3
InChIKeyUQWZINIIUCBWMT-UHFFFAOYSA-N
XLogP0.34
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-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

Related Compounds

(3,3-Difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269533
[3-(Methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269839
(3,3-Difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444482
(3,3-Difluoroazetidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929193
3-amino-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 154662980
[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 170055450

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (CID 162614635) is (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is CNN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is UQWZINIIUCBWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-14-16-4-8-2-3-9(5-16)17(8)10(18)15-6-11(12,13)7-15/h8-9,14H,2-7H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 260.29 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[3-(methylamino)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 162614635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).