(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane

C8H14FN — CID 175705092

IUPAC(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane
SMILESF[C@H]1CC[C@H]2CCC[C@@H]1N2
InChIInChI=1S/C8H14FN/c9-7-5-4-6-2-1-3-8(7)10-6/h6-8,10H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyJCGWTLUGZIWWBN-CSMHCCOUSA-N
MW143.20 g/mol
LogP1.63
Rot. Bonds

About (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane

(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane (PubChem CID 175705092) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane
PubChem CID175705092
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane
SMILESF[C@H]1CC[C@H]2CCC[C@@H]1N2
InChIInChI=1S/C8H14FN/c9-7-5-4-6-2-1-3-8(7)10-6/h6-8,10H,1-5H2/t6-,7+,8+/m1/s1
InChIKeyJCGWTLUGZIWWBN-CSMHCCOUSA-N
XLogP1.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane
CID 175691789
8-azabicyclo[3.2.1]octane;hydron
CID 68548681
(2R)-2-fluoro-3-methyl-9-azabicyclo[3.3.1]nonane
CID 170300771
2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
CID 115015773
(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
CID 135395892
1-[(1R,2R,6R)-9-azabicyclo[4.2.1]nonan-2-yl]ethanone
CID 93498894
(1R,2R,5R)-2-methyl-8-azabicyclo[3.2.1]octane
CID 164990465
(1R,6S)-7-azabicyclo[4.1.0]heptane
CID 637980
7-azabicyclo[2.2.1]heptan-2-amine
CID 18534976
6-azabicyclo[3.1.1]heptane;methanol
CID 169176721
2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 170904367
(1R,2S,5S)-2-ethyl-9-azabicyclo[3.3.1]nonan-3-one
CID 131010892

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane (CID 175705092) is (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane is F[C@H]1CC[C@H]2CCC[C@@H]1N2.
What is the InChIKey of (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane?
The InChIKey is JCGWTLUGZIWWBN-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H14FN/c9-7-5-4-6-2-1-3-8(7)10-6/h6-8,10H,1-5H2/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane?
(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane has a molecular weight of 143.20 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 175705092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).