6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one

C14H24FNO2 — CID 171938033

IUPAC6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
SMILESCN1C2COCC1CC(C(=O)CCCCCF)C2
InChIInChI=1S/C14H24FNO2/c1-16-12-7-11(8-13(16)10-18-9-12)14(17)5-3-2-4-6-15/h11-13H,2-10H2,1H3
InChIKeyNGTVRUAPBPMXBD-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.19
Rot. Bonds6

About 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one

6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one (PubChem CID 171938033) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one.

Molecular Properties

Compound Name6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
PubChem CID171938033
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
SMILESCN1C2COCC1CC(C(=O)CCCCCF)C2
InChIInChI=1S/C14H24FNO2/c1-16-12-7-11(8-13(16)10-18-9-12)14(17)5-3-2-4-6-15/h11-13H,2-10H2,1H3
InChIKeyNGTVRUAPBPMXBD-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one?
The IUPAC name of 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one (CID 171938033) is 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one.
What is the SMILES notation for 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one?
The canonical SMILES for 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one is CN1C2COCC1CC(C(=O)CCCCCF)C2.
What is the InChIKey of 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one?
The InChIKey is NGTVRUAPBPMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-16-12-7-11(8-13(16)10-18-9-12)14(17)5-3-2-4-6-15/h11-13H,2-10H2,1H3.
What are the key properties of 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one?
6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one has a molecular weight of 257.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one is sourced from PubChem (CID 171938033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).