1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone

C16H20FNO — CID 171944857

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C16H20FNO/c17-13-4-1-3-11(7-13)8-16(19)12-9-14-5-2-6-15(10-12)18-14/h1,3-4,7,12,14-15,18H,2,5-6,8-10H2
InChIKeyRDZUOLTTXFOWQT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.86
Rot. Bonds3

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 171944857) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
PubChem CID171944857
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C16H20FNO/c17-13-4-1-3-11(7-13)8-16(19)12-9-14-5-2-6-15(10-12)18-14/h1,3-4,7,12,14-15,18H,2,5-6,8-10H2
InChIKeyRDZUOLTTXFOWQT-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
3-[2-(9-azabicyclo[3.3.1]nonan-3-yl)-2-oxoethyl]benzonitrile
CID 171946443
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944859
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 171940818
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenylbutan-1-one
CID 171947997
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235

Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone (CID 171944857) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is RDZUOLTTXFOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-13-4-1-3-11(7-13)8-16(19)12-9-14-5-2-6-15(10-12)18-14/h1,3-4,7,12,14-15,18H,2,5-6,8-10H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 261.34 g/mol, XLogP of 2.86, 3 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)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 171944857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).