(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane

C9H16FNO — CID 130291365

IUPAC(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
SMILESC[C@@H]1CC2CCCC(F)(C1)N2O
InChIInChI=1S/C9H16FNO/c1-7-5-8-3-2-4-9(10,6-7)11(8)12/h7-8,12H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyUBCOCGXWFPCWPP-AFPNSQJFSA-N
MW173.23 g/mol
LogP2.33
Rot. Bonds

About (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane

(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 130291365) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID130291365
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane
SMILESC[C@@H]1CC2CCCC(F)(C1)N2O
InChIInChI=1S/C9H16FNO/c1-7-5-8-3-2-4-9(10,6-7)11(8)12/h7-8,12H,2-6H2,1H3/t7-,8?,9?/m1/s1
InChIKeyUBCOCGXWFPCWPP-AFPNSQJFSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 144922740
5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
CID 123301947
(5S,9S)-7-methyl-13-azatricyclo[7.3.1.05,13]tridecane-1-carbonitrile
CID 134968037
1-cyclobutyl-2,4-dimethylpyrrolidine
CID 126997653
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114596385
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
[3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640098
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278

Frequently Asked Questions

What is the IUPAC name of (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane (CID 130291365) is (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane is C[C@@H]1CC2CCCC(F)(C1)N2O.
What is the InChIKey of (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is UBCOCGXWFPCWPP-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-5-8-3-2-4-9(10,6-7)11(8)12/h7-8,12H,2-6H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane?
(3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 173.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-fluoro-9-hydroxy-3-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 130291365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).