1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one

C13H20F3NO — CID 171950141

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H20F3NO/c14-13(15,16)6-2-5-12(18)9-7-10-3-1-4-11(8-9)17-10/h9-11,17H,1-8H2
InChIKeyFDBAHIGMPIENCG-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds4

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 171950141) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID171950141
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H20F3NO/c14-13(15,16)6-2-5-12(18)9-7-10-3-1-4-11(8-9)17-10/h9-11,17H,1-8H2
InChIKeyFDBAHIGMPIENCG-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-azabicyclo(3.3.1)nonan-3-one, 1-pentyl-, (1R)-
CID 148416
1,1,1-trifluoro-4-[(2S,5S)-5-methylpiperidin-2-yl]butan-2-one
CID 160252610
3-(2-Ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-one
CID 163485443
1-Pentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 53462466
(5S)-1-pentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 134964180
1-(3,3-Difluorocyclohexyl)-4-piperidin-3-ylbutan-2-one
CID 114225548
1-(3,3-Difluorocyclohexyl)-4-piperidin-2-ylbutan-2-one
CID 114225550
1-(3,3-Difluorocyclohexyl)-3-piperidin-3-ylpropan-2-one
CID 114225551
2-(3,3-Difluorocyclohexyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 114225554
3-(4-Ethylpiperidin-2-yl)-1,1,1-trifluoropropan-2-one
CID 114425852
5,5,5-Trifluoro-1-piperidin-4-ylpentan-1-one
CID 116547655
7,7,7-Trifluoro-1-piperidin-3-ylheptan-3-one
CID 116562328

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one (CID 171950141) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is FDBAHIGMPIENCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)6-2-5-12(18)9-7-10-3-1-4-11(8-9)17-10/h9-11,17H,1-8H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 171950141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).