4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine

C12H13BrF3NO — CID 65484605

IUPAC4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1cc(Br)ccc1OC1CCNCC1
InChIInChI=1S/C12H13BrF3NO/c13-8-1-2-11(10(7-8)12(14,15)16)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2
InChIKeyZPVTYAMEWAXFCU-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.60
Rot. Bonds2

About 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine

4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine (PubChem CID 65484605) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine
PubChem CID65484605
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine
SMILESFC(F)(F)c1cc(Br)ccc1OC1CCNCC1
InChIInChI=1S/C12H13BrF3NO/c13-8-1-2-11(10(7-8)12(14,15)16)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2
InChIKeyZPVTYAMEWAXFCU-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine 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-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine (CID 65484605) is 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine is FC(F)(F)c1cc(Br)ccc1OC1CCNCC1.
What is the InChIKey of 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is ZPVTYAMEWAXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-8-1-2-11(10(7-8)12(14,15)16)18-9-3-5-17-6-4-9/h1-2,7,9,17H,3-6H2.
What are the key properties of 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine?
4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 324.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 65484605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).