(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium

C9H17FNO+ — CID 147270687

IUPAC(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium
SMILESCC1CC2CC(F)CC(C1)N2[OH2+]
InChIInChI=1S/C9H16FNO/c1-6-2-8-4-7(10)5-9(3-6)11(8)12/h6-9,12H,2-5H2,1H3/p+1
InChIKeyCQIWSIDLQVZHEQ-UHFFFAOYSA-O
MW174.24 g/mol
LogP1.23
Rot. Bonds

About (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium

(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium (PubChem CID 147270687) has the molecular formula C9H17FNO+ and a molecular weight of 174.24 g/mol. Its IUPAC name is (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium.

Molecular Properties

Compound Name(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium
PubChem CID147270687
Molecular FormulaC9H17FNO+
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium
SMILESCC1CC2CC(F)CC(C1)N2[OH2+]
InChIInChI=1S/C9H16FNO/c1-6-2-8-4-7(10)5-9(3-6)11(8)12/h6-9,12H,2-5H2,1H3/p+1
InChIKeyCQIWSIDLQVZHEQ-UHFFFAOYSA-O
XLogP1.23
TPSA26.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-2-(1-hydroxypiperidin-3-yl)piperidine
CID 91299424
3-Fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane
CID 129155559
3-Fluoro-9-hydroxy-1,7-dimethyl-9-azabicyclo[3.3.1]nonane
CID 129155597
1-Fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
CID 129155601
4-Fluoro-2-(2-fluoro-2-methylpentyl)-1-hydroxypiperidine
CID 129155968
(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 130291086
(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
CID 130291365
3,7-Difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 134536302
2-Fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
CID 140624948
(3-Fluoro-1-iodo-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium
CID 147584642
3,7-Difluoro-9-hydroxy-1-iodo-3-methyl-9-azabicyclo[3.3.1]nonane
CID 149315853
1-Ethyl-3,7-difluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
CID 166951299

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium?
The IUPAC name of (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium (CID 147270687) is (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium.
What is the SMILES notation for (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium?
The canonical SMILES for (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium is CC1CC2CC(F)CC(C1)N2[OH2+].
What is the InChIKey of (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium?
The InChIKey is CQIWSIDLQVZHEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16FNO/c1-6-2-8-4-7(10)5-9(3-6)11(8)12/h6-9,12H,2-5H2,1H3/p+1.
What are the key properties of (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium?
(3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium has a molecular weight of 174.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)oxidanium is sourced from PubChem (CID 147270687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).