(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane

C7H12FN — CID 175691789

IUPAC(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESF[C@@H]1CC[C@@H]2CCC1N2
InChIInChI=1S/C7H12FN/c8-6-3-1-5-2-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7?/m1/s1
InChIKeyRRCGTFHTQUKZPZ-CQMSUOBXSA-N
MW129.18 g/mol
LogP1.24
Rot. Bonds

About (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane

(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 175691789) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID175691789
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane
SMILESF[C@@H]1CC[C@@H]2CCC1N2
InChIInChI=1S/C7H12FN/c8-6-3-1-5-2-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7?/m1/s1
InChIKeyRRCGTFHTQUKZPZ-CQMSUOBXSA-N
XLogP1.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonane
CID 175705092
(1R,2R,5R)-2-methyl-8-azabicyclo[3.2.1]octane
CID 164990465
7-azabicyclo[2.2.1]heptan-2-amine
CID 18534976
2-fluoro-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 170904367
2-pyrrolidin-2-yl-8-azabicyclo[3.2.1]octane
CID 115015773
2-tert-butyl-7-azabicyclo[2.2.1]heptane
CID 21352057
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
(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol
CID 10261070
7-azabicyclo[2.2.1]heptan-2-ol
CID 18009146
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
CID 133268759
33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane
CID 90995297

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane (CID 175691789) is (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane is F[C@@H]1CC[C@@H]2CCC1N2.
What is the InChIKey of (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is RRCGTFHTQUKZPZ-CQMSUOBXSA-N. The full InChI is InChI=1S/C7H12FN/c8-6-3-1-5-2-4-7(6)9-5/h5-7,9H,1-4H2/t5-,6-,7?/m1/s1.
What are the key properties of (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane?
(2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 129.18 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 175691789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).