(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol

C9H16FNO — CID 13377578

IUPAC(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2CCF
InChIInChI=1S/C9H16FNO/c10-3-4-11-7-1-2-8(11)6-9(12)5-7/h7-9,12H,1-6H2/t7-,8+,9?
InChIKeyDVDHZMHNIYEETC-JVHMLUBASA-N
MW173.23 g/mol
LogP0.94
Rot. Bonds2

About (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 13377578) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID13377578
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)N2CCF
InChIInChI=1S/C9H16FNO/c10-3-4-11-7-1-2-8(11)6-9(12)5-7/h7-9,12H,1-6H2/t7-,8+,9?
InChIKeyDVDHZMHNIYEETC-JVHMLUBASA-N
XLogP0.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 8424
(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CID 449293
Tropine
CID 6101956
Npc136192
CID 11859618
3-Hydroxy-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octane
CID 16193699
Azoniaspironortropanol
CID 72941454
endo-8-Isopropyl-8-azabicyclo(3.2.1)octan-3-ol
CID 103007
Pseudotropine hydrochloride
CID 200599
3-Hydroxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
CID 13710638
Tropine hydrate
CID 16218784
8-Aza-3-hydroxy-N-methylbicyclo(3.2.1)octane N-oxide dihydrate
CID 98058
Azoniaspironortropanol chloride
CID 72941453

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 13377578) is (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1C[C@H]2CC[C@@H](C1)N2CCF.
What is the InChIKey of (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DVDHZMHNIYEETC-JVHMLUBASA-N. The full InChI is InChI=1S/C9H16FNO/c10-3-4-11-7-1-2-8(11)6-9(12)5-7/h7-9,12H,1-6H2/t7-,8+,9?.
What are the key properties of (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 173.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-(2-fluoroethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 13377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).