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

C10H16FNO — CID 100997909

IUPAC9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCF
InChIInChI=1S/C10H16FNO/c11-4-5-12-8-2-1-3-9(12)7-10(13)6-8/h8-9H,1-7H2
InChIKeyJRCLMXYOKOKBMX-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.54
Rot. Bonds2

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

9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 100997909) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID100997909
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CCF
InChIInChI=1S/C10H16FNO/c11-4-5-12-8-2-1-3-9(12)7-10(13)6-8/h8-9H,1-7H2
InChIKeyJRCLMXYOKOKBMX-UHFFFAOYSA-N
XLogP1.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 100997909) is 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CCF.
What is the InChIKey of 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is JRCLMXYOKOKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-4-5-12-8-2-1-3-9(12)7-10(13)6-8/h8-9H,1-7H2.
What are the key properties of 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 185.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 100997909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).