8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one

C11H17F2NO — CID 126776530

IUPAC8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(F)(F)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H17F2NO/c1-11(12,13)4-5-14-8-2-3-9(14)7-10(15)6-8/h8-9H,2-7H2,1H3
InChIKeyWGBNGXHEZHJSCL-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.23
Rot. Bonds3

About 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one

8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 126776530) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID126776530
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(F)(F)CCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H17F2NO/c1-11(12,13)4-5-14-8-2-3-9(14)7-10(15)6-8/h8-9H,2-7H2,1H3
InChIKeyWGBNGXHEZHJSCL-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one (CID 126776530) is 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one is CC(F)(F)CCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is WGBNGXHEZHJSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-11(12,13)4-5-14-8-2-3-9(14)7-10(15)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 217.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorobutyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 126776530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).