9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one

C11H17F2NO — CID 130948188

IUPAC9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C(F)F)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17F2NO/c1-7(11(12)13)14-8-3-2-4-9(14)6-10(15)5-8/h7-9,11H,2-6H2,1H3
InChIKeyGAAHTHYHOCUWRV-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.23
Rot. Bonds2

About 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one

9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 130948188) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID130948188
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(C(F)F)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C11H17F2NO/c1-7(11(12)13)14-8-3-2-4-9(14)6-10(15)5-8/h7-9,11H,2-6H2,1H3
InChIKeyGAAHTHYHOCUWRV-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one (CID 130948188) is 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one is CC(C(F)F)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is GAAHTHYHOCUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-7(11(12)13)14-8-3-2-4-9(14)6-10(15)5-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 217.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,1-difluoropropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 130948188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).