1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone

C15H18FNO2 — CID 63762586

IUPAC1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-9(18)10-2-5-15(14(16)6-10)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,11-13,19H,3-4,7-8H2,1H3
InChIKeyZHINHQGTNRSION-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone

1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone (PubChem CID 63762586) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone
PubChem CID63762586
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-9(18)10-2-5-15(14(16)6-10)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,11-13,19H,3-4,7-8H2,1H3
InChIKeyZHINHQGTNRSION-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone (CID 63762586) is 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone is CC(=O)c1ccc(N2C3CCC2CC(O)C3)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone?
The InChIKey is ZHINHQGTNRSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-9(18)10-2-5-15(14(16)6-10)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,11-13,19H,3-4,7-8H2,1H3.
What are the key properties of 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone?
1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone has a molecular weight of 263.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone is sourced from PubChem (CID 63762586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).