(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine

C7H11BrF3N — CID 97168583

IUPAC(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1CCC[C@@H](CBr)C1
InChIInChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(5-6)7(9,10)11/h6H,1-5H2/t6-/m0/s1
InChIKeyORFNJEZAWQEHFM-LURJTMIESA-N
MW246.07 g/mol
LogP2.61
Rot. Bonds1

About (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine

(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine (PubChem CID 97168583) has the molecular formula C7H11BrF3N and a molecular weight of 246.07 g/mol. Its IUPAC name is (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine
PubChem CID97168583
Molecular FormulaC7H11BrF3N
Molecular Weight246.07 g/mol
Exact Mass245.00
IUPAC Name(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1CCC[C@@H](CBr)C1
InChIInChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(5-6)7(9,10)11/h6H,1-5H2/t6-/m0/s1
InChIKeyORFNJEZAWQEHFM-LURJTMIESA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (3R)-3-(bromomethyl)-1-(trifluoromethyl)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 (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine?
The IUPAC name of (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine (CID 97168583) is (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine?
The canonical SMILES for (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine is FC(F)(F)N1CCC[C@@H](CBr)C1.
What is the InChIKey of (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine?
The InChIKey is ORFNJEZAWQEHFM-LURJTMIESA-N. The full InChI is InChI=1S/C7H11BrF3N/c8-4-6-2-1-3-12(5-6)7(9,10)11/h6H,1-5H2/t6-/m0/s1.
What are the key properties of (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine?
(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine has a molecular weight of 246.07 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine is sourced from PubChem (CID 97168583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).