(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane

C9H16FN — CID 170300771

IUPAC(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(N2)[C@@H]1F
InChIInChI=1S/C9H16FN/c1-6-5-7-3-2-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1
InChIKeyVGFKVCRLSVGPPO-RLKGBJSKSA-N
MW157.23 g/mol
LogP1.88
Rot. Bonds

About (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane

(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 170300771) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID170300771
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(N2)[C@@H]1F
InChIInChI=1S/C9H16FN/c1-6-5-7-3-2-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1
InChIKeyVGFKVCRLSVGPPO-RLKGBJSKSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
CID 135395892
(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane
CID 175705092
6-azabicyclo[3.1.1]heptane;methanol
CID 169176721
2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130430
(1R,3R,5S)-2-fluoro-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130423
2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 170904367
(1S,6R,7S)-9-azabicyclo[4.2.1]nonane-7-carboxylic acid
CID 101178675
[(1S,5R,6S)-8-azabicyclo[3.2.1]octan-6-yl] methanesulfonate
CID 10679764
(6R)-3,6-dimethyl-8-azabicyclo[3.2.1]octane
CID 129313885
(1R,2R,5R)-2-methyl-8-azabicyclo[3.2.1]octane
CID 164990465
3-bromo-9-azabicyclo[3.3.1]nonane
CID 171936273
(1R,2S,5S)-2-ethyl-9-azabicyclo[3.3.1]nonan-3-one
CID 131010892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane (CID 170300771) is (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane is CC1CC2CCCC(N2)[C@@H]1F.
What is the InChIKey of (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is VGFKVCRLSVGPPO-RLKGBJSKSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-5-7-3-2-4-8(11-7)9(6)10/h6-9,11H,2-5H2,1H3/t6?,7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane?
(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 157.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 170300771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).