8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H20FNO2 — CID 55237798

IUPAC8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)c1cc(F)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20FNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3/t9-,11?,12?,13?/m0/s1
InChIKeySQWQKERMIRUWIL-KODGCSJUSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds2

About 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237798) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237798
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](O)c1cc(F)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20FNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3/t9-,11?,12?,13?/m0/s1
InChIKeySQWQKERMIRUWIL-KODGCSJUSA-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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Frequently Asked Questions

What is the IUPAC name of 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237798) is 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is C[C@H](O)c1cc(F)ccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SQWQKERMIRUWIL-KODGCSJUSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3/t9-,11?,12?,13?/m0/s1.
What are the key properties of 8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-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-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).