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

C11H17F2N3O — CID 129269533

IUPAC(3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H17F2N3O/c1-14-4-8-2-3-9(5-14)16(8)10(17)15-6-11(12,13)7-15/h8-9H,2-7H2,1H3
InChIKeyBZEPEGVQHTWQOA-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.84
Rot. Bonds

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

(3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269533) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269533
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1
InChIInChI=1S/C11H17F2N3O/c1-14-4-8-2-3-9(5-14)16(8)10(17)15-6-11(12,13)7-15/h8-9H,2-7H2,1H3
InChIKeyBZEPEGVQHTWQOA-UHFFFAOYSA-N
XLogP0.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3-Fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269350
(3-Fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269373
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 129269391
[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269511
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269734
(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269838
(4,4-Difluoropiperidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269847
(3-Iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269977
[3-[Difluoro(iodo)methyl]azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129270102
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
CID 137444333
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 137444381
(4,4-Difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444385

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269533) is (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is BZEPEGVQHTWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-14-4-8-2-3-9(5-14)16(8)10(17)15-6-11(12,13)7-15/h8-9H,2-7H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 245.27 g/mol, XLogP of 0.84, 0 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-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).