3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane

C9H16FNO — CID 129155559

IUPAC3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CC(F)CC(C1)N2O
InChIInChI=1S/C9H16FNO/c1-6-2-8-4-7(10)5-9(3-6)11(8)12/h6-9,12H,2-5H2,1H3
InChIKeyCQIWSIDLQVZHEQ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.98
Rot. Bonds

About 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane

3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 129155559) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID129155559
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CC(F)CC(C1)N2O
InChIInChI=1S/C9H16FNO/c1-6-2-8-4-7(10)5-9(3-6)11(8)12/h6-9,12H,2-5H2,1H3
InChIKeyCQIWSIDLQVZHEQ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane
CID 144503973
7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
9-hydroxy-9-azatricyclo[4.3.1.13,8]undecane
CID 155161461
3-fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
1-(3,5-dimethylcyclohexyl)pyrrole
CID 64729748
3-fluoro-1-(3-methylcyclopentyl)pyrrolidine
CID 144865924
(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)phosphane
CID 145265766
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 147755667
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane (CID 129155559) is 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane is CC1CC2CC(F)CC(C1)N2O.
What is the InChIKey of 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is CQIWSIDLQVZHEQ-UHFFFAOYSA-N. 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.
What are the key properties of 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane?
3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 173.23 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 129155559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).