3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone

C11H15F3N2O — CID 71099525

IUPAC3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESO=C(N1CC2CC(C1)N2)C1(C(F)(F)F)CCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(2-1-3-10)9(17)16-5-7-4-8(6-16)15-7/h7-8,15H,1-6H2
InChIKeyHFJPXYXZQGFXSX-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.29
Rot. Bonds1

About 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone

3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 71099525) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID71099525
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESO=C(N1CC2CC(C1)N2)C1(C(F)(F)F)CCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(2-1-3-10)9(17)16-5-7-4-8(6-16)15-7/h7-8,15H,1-6H2
InChIKeyHFJPXYXZQGFXSX-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone (CID 71099525) is 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone is O=C(N1CC2CC(C1)N2)C1(C(F)(F)F)CCC1.
What is the InChIKey of 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is HFJPXYXZQGFXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10(2-1-3-10)9(17)16-5-7-4-8(6-16)15-7/h7-8,15H,1-6H2.
What are the key properties of 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone?
3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 248.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.1.1]heptan-3-yl-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 71099525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).