[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C13H20F3N3O2 — CID 129269407

IUPAC[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1(C(F)(F)F)CN(C(=O)N2C3CCC2CN(C)C3)C1
InChIInChI=1S/C13H20F3N3O2/c1-17-5-9-3-4-10(6-17)19(9)11(20)18-7-12(8-18,21-2)13(14,15)16/h9-10H,3-8H2,1-2H3
InChIKeyFCUZDHYDUYLCAJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.15
Rot. Bonds1

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

[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269407) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269407
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1(C(F)(F)F)CN(C(=O)N2C3CCC2CN(C)C3)C1
InChIInChI=1S/C13H20F3N3O2/c1-17-5-9-3-4-10(6-17)19(9)11(20)18-7-12(8-18,21-2)13(14,15)16/h9-10H,3-8H2,1-2H3
InChIKeyFCUZDHYDUYLCAJ-UHFFFAOYSA-N
XLogP1.15
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[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-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
[3-(Difluoromethoxy)azetidin-1-yl]-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 170055226

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269407) is [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is COC1(C(F)(F)F)CN(C(=O)N2C3CCC2CN(C)C3)C1.
What is the InChIKey of [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is FCUZDHYDUYLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-17-5-9-3-4-10(6-17)19(9)11(20)18-7-12(8-18,21-2)13(14,15)16/h9-10H,3-8H2,1-2H3.
What are the key properties of [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 307.32 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).