1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone

C12H18F2N2O — CID 163646234

IUPAC1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(CC1CC(F)(F)C1)N1C2CCC1CNC2
InChIInChI=1S/C12H18F2N2O/c13-12(14)4-8(5-12)3-11(17)16-9-1-2-10(16)7-15-6-9/h8-10,15H,1-7H2
InChIKeyIILDSDGEVATZRO-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.38
Rot. Bonds2

About 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone

1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone (PubChem CID 163646234) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone
PubChem CID163646234
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone
SMILESO=C(CC1CC(F)(F)C1)N1C2CCC1CNC2
InChIInChI=1S/C12H18F2N2O/c13-12(14)4-8(5-12)3-11(17)16-9-1-2-10(16)7-15-6-9/h8-10,15H,1-7H2
InChIKeyIILDSDGEVATZRO-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone?
The IUPAC name of 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone (CID 163646234) is 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone.
What is the SMILES notation for 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone?
The canonical SMILES for 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone is O=C(CC1CC(F)(F)C1)N1C2CCC1CNC2.
What is the InChIKey of 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone?
The InChIKey is IILDSDGEVATZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c13-12(14)4-8(5-12)3-11(17)16-9-1-2-10(16)7-15-6-9/h8-10,15H,1-7H2.
What are the key properties of 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone?
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone has a molecular weight of 244.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(3,3-difluorocyclobutyl)ethanone is sourced from PubChem (CID 163646234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).