8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H20FNO2 — CID 55237411

IUPAC8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)c1c(F)cccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20FNO2/c1-9(18)15-13(16)3-2-4-14(15)17-10-5-6-11(17)8-12(19)7-10/h2-4,9-12,18-19H,5-8H2,1H3/t9-,10?,11?,12?/m0/s1
InChIKeyHGNYGPXBBKMAPJ-ZLMIFYAYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds2

About 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237411) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237411
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)c1c(F)cccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20FNO2/c1-9(18)15-13(16)3-2-4-14(15)17-10-5-6-11(17)8-12(19)7-10/h2-4,9-12,18-19H,5-8H2,1H3/t9-,10?,11?,12?/m0/s1
InChIKeyHGNYGPXBBKMAPJ-ZLMIFYAYSA-N
XLogP2.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
8-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237604
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
1-(2,6-difluorophenyl)ethanol
CID 5012075
5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 66056615
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255

Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237411) is 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is C[C@H](O)c1c(F)cccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HGNYGPXBBKMAPJ-ZLMIFYAYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9(18)15-13(16)3-2-4-14(15)17-10-5-6-11(17)8-12(19)7-10/h2-4,9-12,18-19H,5-8H2,1H3/t9-,10?,11?,12?/m0/s1.
What are the key properties of 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).