5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one

C14H24FNO — CID 171938704

IUPAC5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
SMILESCN1C2CCCC1CC(C(=O)CCCCF)C2
InChIInChI=1S/C14H24FNO/c1-16-12-5-4-6-13(16)10-11(9-12)14(17)7-2-3-8-15/h11-13H,2-10H2,1H3
InChIKeyUGZPAKYYAPNMQX-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.96
Rot. Bonds5

About 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one

5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one (PubChem CID 171938704) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
PubChem CID171938704
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
SMILESCN1C2CCCC1CC(C(=O)CCCCF)C2
InChIInChI=1S/C14H24FNO/c1-16-12-5-4-6-13(16)10-11(9-12)14(17)7-2-3-8-15/h11-13H,2-10H2,1H3
InChIKeyUGZPAKYYAPNMQX-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 44185465
(8R,9aR)-8-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 134942263
3-Propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 134963983
2-[1-(2-Fluoroethyl)piperidin-2-yl]cyclohexan-1-one
CID 80695358
2-[1-(3-Fluoropropyl)piperidin-2-yl]cyclohexan-1-one
CID 81106474
5,5,5-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
CID 157257706
1-(9-Azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
CID 171938023
6-Fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexan-1-one
CID 171938024
1-(9-Azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one
CID 171938703
Tert-butyl 3-(5-fluoropentanoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938706
1-(9-Azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
CID 171950141
5,5,5-Trifluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171950142

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one?
The IUPAC name of 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one (CID 171938704) is 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one.
What is the SMILES notation for 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one?
The canonical SMILES for 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one is CN1C2CCCC1CC(C(=O)CCCCF)C2.
What is the InChIKey of 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one?
The InChIKey is UGZPAKYYAPNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c1-16-12-5-4-6-13(16)10-11(9-12)14(17)7-2-3-8-15/h11-13H,2-10H2,1H3.
What are the key properties of 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one?
5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one has a molecular weight of 241.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one is sourced from PubChem (CID 171938704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).