9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one

C10H15F2NO — CID 115408731

IUPAC9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CC(F)F
InChIInChI=1S/C10H15F2NO/c11-10(12)6-13-7-2-1-3-8(13)5-9(14)4-7/h7-8,10H,1-6H2
InChIKeySRTZJBOCHIHKML-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.84
Rot. Bonds2

About 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 115408731) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID115408731
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CC(F)F
InChIInChI=1S/C10H15F2NO/c11-10(12)6-13-7-2-1-3-8(13)5-9(14)4-7/h7-8,10H,1-6H2
InChIKeySRTZJBOCHIHKML-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 115408731) is 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CC(F)F.
What is the InChIKey of 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is SRTZJBOCHIHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-10(12)6-13-7-2-1-3-8(13)5-9(14)4-7/h7-8,10H,1-6H2.
What are the key properties of 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 203.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 115408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).