2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C15H18FNO2 — CID 55236041

IUPAC2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H18FNO2/c16-14-4-2-1-3-10(14)7-15(19)17-11-5-6-12(17)9-13(18)8-11/h1-4,11-13,18H,5-9H2
InChIKeyDOFGCRHVWIKHOM-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.88
Rot. Bonds2

About 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 55236041) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID55236041
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H18FNO2/c16-14-4-2-1-3-10(14)7-15(19)17-11-5-6-12(17)9-13(18)8-11/h1-4,11-13,18H,5-9H2
InChIKeyDOFGCRHVWIKHOM-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 55236041) is 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(Cc1ccccc1F)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is DOFGCRHVWIKHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-4-2-1-3-10(14)7-15(19)17-11-5-6-12(17)9-13(18)8-11/h1-4,11-13,18H,5-9H2.
What are the key properties of 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 263.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 55236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).