8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H18FNO2 — CID 55237410

IUPAC8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCc1cc(F)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H18FNO2/c15-10-1-4-14(9(5-10)8-17)16-11-2-3-12(16)7-13(18)6-11/h1,4-5,11-13,17-18H,2-3,6-8H2
InChIKeySCQWAANELCBAQU-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.81
Rot. Bonds2

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

8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237410) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237410
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCc1cc(F)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C14H18FNO2/c15-10-1-4-14(9(5-10)8-17)16-11-2-3-12(16)7-13(18)6-11/h1,4-5,11-13,17-18H,2-3,6-8H2
InChIKeySCQWAANELCBAQU-UHFFFAOYSA-N
XLogP1.81
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.81
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-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237410) is 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is OCc1cc(F)ccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SCQWAANELCBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-1-4-14(9(5-10)8-17)16-11-2-3-12(16)7-13(18)6-11/h1,4-5,11-13,17-18H,2-3,6-8H2.
What are the key properties of 8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.30 g/mol, XLogP of 1.81, 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-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).