3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

C19H20FNO — CID 10357278

IUPAC3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2
InChIInChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2
InChIKeyDBWUTEAWLNNNJV-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.41
Rot. Bonds2

About 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol

3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 10357278) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID10357278
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2
InChIInChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2
InChIKeyDBWUTEAWLNNNJV-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 10357278) is 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is OC1(c2ccc(-c3ccc(F)cc3)cc2)CN2CCC1CC2.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is DBWUTEAWLNNNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol?
3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 297.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 10357278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).