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

C12H18F3N3O2 — CID 129269511

IUPAC[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-16-4-8-2-3-9(5-16)18(8)10(19)17-6-11(20,7-17)12(13,14)15/h8-9,20H,2-7H2,1H3
InChIKeyQRHQAKMPASTYSE-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.49
Rot. Bonds

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

[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269511) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269511
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCN1CC2CCC(C1)N2C(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-16-4-8-2-3-9(5-16)18(8)10(19)17-6-11(20,7-17)12(13,14)15/h8-9,20H,2-7H2,1H3
InChIKeyQRHQAKMPASTYSE-UHFFFAOYSA-N
XLogP0.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-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-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269511) is [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CN1CC2CCC(C1)N2C(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is QRHQAKMPASTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-16-4-8-2-3-9(5-16)18(8)10(19)17-6-11(20,7-17)12(13,14)15/h8-9,20H,2-7H2,1H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 293.29 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).