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

C13H21F2N3O2 — CID 170055226

IUPAC[3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C13H21F2N3O2/c1-2-16-5-9-3-4-10(6-16)18(9)13(19)17-7-11(8-17)20-12(14)15/h9-12H,2-8H2,1H3
InChIKeyCNAPFPAAKFLYDN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.20
Rot. Bonds3

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

[3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 170055226) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID170055226
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name[3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCN1CC2CCC(C1)N2C(=O)N1CC(OC(F)F)C1
InChIInChI=1S/C13H21F2N3O2/c1-2-16-5-9-3-4-10(6-16)18(9)13(19)17-7-11(8-17)20-12(14)15/h9-12H,2-8H2,1H3
InChIKeyCNAPFPAAKFLYDN-UHFFFAOYSA-N
XLogP1.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269407
[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269511
[3-Hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444448
(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137444466
[3-Methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929212
N-(2-hydroxyethyl)-3-methyl-N-(3,3,3-trifluoropropyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147272380

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 170055226) is [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CCN1CC2CCC(C1)N2C(=O)N1CC(OC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is CNAPFPAAKFLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-2-16-5-9-3-4-10(6-16)18(9)13(19)17-7-11(8-17)20-12(14)15/h9-12H,2-8H2,1H3.
What are the key properties of [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
[3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 170055226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).