9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

C16H20FNO — CID 62713412

IUPAC9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(c1ccccc1F)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C16H20FNO/c1-11(15-7-2-3-8-16(15)17)18-12-5-4-6-13(18)10-14(19)9-12/h2-3,7-8,11-13H,4-6,9-10H2,1H3
InChIKeyKHJYFCNEBXJTKE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.47
Rot. Bonds2

About 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62713412) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62713412
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(c1ccccc1F)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C16H20FNO/c1-11(15-7-2-3-8-16(15)17)18-12-5-4-6-13(18)10-14(19)9-12/h2-3,7-8,11-13H,4-6,9-10H2,1H3
InChIKeyKHJYFCNEBXJTKE-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 62713412) is 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is CC(c1ccccc1F)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is KHJYFCNEBXJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-11(15-7-2-3-8-16(15)17)18-12-5-4-6-13(18)10-14(19)9-12/h2-3,7-8,11-13H,4-6,9-10H2,1H3.
What are the key properties of 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 261.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-fluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62713412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).