3-(azetidin-1-yl)-4-fluoroaniline

C9H11FN2 — CID 131275166

IUPAC3-(azetidin-1-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(N2CCC2)c1
InChIInChI=1S/C9H11FN2/c10-8-3-2-7(11)6-9(8)12-4-1-5-12/h2-3,6H,1,4-5,11H2
InChIKeyASXCGBHDHXOKAS-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.62
Rot. Bonds1

About 3-(azetidin-1-yl)-4-fluoroaniline

3-(azetidin-1-yl)-4-fluoroaniline (PubChem CID 131275166) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(azetidin-1-yl)-4-fluoroaniline
PubChem CID131275166
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name3-(azetidin-1-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(N2CCC2)c1
InChIInChI=1S/C9H11FN2/c10-8-3-2-7(11)6-9(8)12-4-1-5-12/h2-3,6H,1,4-5,11H2
InChIKeyASXCGBHDHXOKAS-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(azetidin-1-yl)-4-fluoroaniline 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 3-(azetidin-1-yl)-4-fluoroaniline?
The IUPAC name of 3-(azetidin-1-yl)-4-fluoroaniline (CID 131275166) is 3-(azetidin-1-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(azetidin-1-yl)-4-fluoroaniline?
The canonical SMILES for 3-(azetidin-1-yl)-4-fluoroaniline is Nc1ccc(F)c(N2CCC2)c1.
What is the InChIKey of 3-(azetidin-1-yl)-4-fluoroaniline?
The InChIKey is ASXCGBHDHXOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-8-3-2-7(11)6-9(8)12-4-1-5-12/h2-3,6H,1,4-5,11H2.
What are the key properties of 3-(azetidin-1-yl)-4-fluoroaniline?
3-(azetidin-1-yl)-4-fluoroaniline has a molecular weight of 166.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-4-fluoroaniline is sourced from PubChem (CID 131275166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).