2-(azetidin-1-yl)-5-(trifluoromethyl)aniline

C10H11F3N2 — CID 58829519

IUPAC2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCC1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2
InChIKeyIFEHOTUGFRFYBN-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.50
Rot. Bonds1

About 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline

2-(azetidin-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 58829519) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
PubChem CID58829519
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCC1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2
InChIKeyIFEHOTUGFRFYBN-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline 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 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline (CID 58829519) is 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is IFEHOTUGFRFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2.
What are the key properties of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 58829519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).