3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone

C11H16F2N2O — CID 129269962

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1C2CCC1CNC2
InChIInChI=1S/C11H16F2N2O/c12-11(13)3-7(4-11)10(16)15-8-1-2-9(15)6-14-5-8/h7-9,14H,1-6H2
InChIKeyWQOMNMXKCOXITN-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.99
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone

3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone (PubChem CID 129269962) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone
PubChem CID129269962
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1C2CCC1CNC2
InChIInChI=1S/C11H16F2N2O/c12-11(13)3-7(4-11)10(16)15-8-1-2-9(15)6-14-5-8/h7-9,14H,1-6H2
InChIKeyWQOMNMXKCOXITN-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone (CID 129269962) is 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone?
The InChIKey is WQOMNMXKCOXITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c12-11(13)3-7(4-11)10(16)15-8-1-2-9(15)6-14-5-8/h7-9,14H,1-6H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone has a molecular weight of 230.26 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 129269962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).