4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile

C14H15FN2O — CID 114199736

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(OC2CC3CCC(C2)N3)c(F)c1
InChIInChI=1S/C14H15FN2O/c15-13-5-9(8-16)1-4-14(13)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-7H2
InChIKeyPQQQNCZZSOENMB-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.36
Rot. Bonds2

About 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile

4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile (PubChem CID 114199736) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile
PubChem CID114199736
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(OC2CC3CCC(C2)N3)c(F)c1
InChIInChI=1S/C14H15FN2O/c15-13-5-9(8-16)1-4-14(13)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-7H2
InChIKeyPQQQNCZZSOENMB-UHFFFAOYSA-N
XLogP2.36
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile (CID 114199736) is 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile is N#Cc1ccc(OC2CC3CCC(C2)N3)c(F)c1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile?
The InChIKey is PQQQNCZZSOENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-13-5-9(8-16)1-4-14(13)18-12-6-10-2-3-11(7-12)17-10/h1,4-5,10-12,17H,2-3,6-7H2.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile?
4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile has a molecular weight of 246.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-fluorobenzonitrile is sourced from PubChem (CID 114199736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).