3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine

C11H11BrClF2N — CID 106763885

IUPAC3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
SMILESFc1c(C2(F)CCCNC2)ccc(Br)c1Cl
InChIInChI=1S/C11H11BrClF2N/c12-8-3-2-7(10(14)9(8)13)11(15)4-1-5-16-6-11/h2-3,16H,1,4-6H2
InChIKeyXOTRLTMWVWMHKH-UHFFFAOYSA-N
MW310.57 g/mol
LogP3.79
Rot. Bonds1

About 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine

3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine (PubChem CID 106763885) has the molecular formula C11H11BrClF2N and a molecular weight of 310.57 g/mol. Its IUPAC name is 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
PubChem CID106763885
Molecular FormulaC11H11BrClF2N
Molecular Weight310.57 g/mol
Exact Mass308.97
IUPAC Name3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
SMILESFc1c(C2(F)CCCNC2)ccc(Br)c1Cl
InChIInChI=1S/C11H11BrClF2N/c12-8-3-2-7(10(14)9(8)13)11(15)4-1-5-16-6-11/h2-3,16H,1,4-6H2
InChIKeyXOTRLTMWVWMHKH-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
CID 106762685
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoropiperidine
CID 106273472
1-(4-bromo-3-chloro-2-fluorophenyl)-2-tert-butylcyclohexan-1-ol
CID 106761218
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
4-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-4-ol
CID 106761250
3-(2-bromo-5-chlorophenyl)piperidin-3-ol
CID 117103863
4-(4-bromo-3-chloro-2-fluorophenyl)-1-methylazepan-4-ol
CID 106761407
3-(4-bromo-3-chloro-2-fluorophenyl)-1-methylpiperidin-3-ol
CID 106761485

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine?
The IUPAC name of 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine (CID 106763885) is 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine?
The canonical SMILES for 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine is Fc1c(C2(F)CCCNC2)ccc(Br)c1Cl.
What is the InChIKey of 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine?
The InChIKey is XOTRLTMWVWMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF2N/c12-8-3-2-7(10(14)9(8)13)11(15)4-1-5-16-6-11/h2-3,16H,1,4-6H2.
What are the key properties of 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine?
3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine has a molecular weight of 310.57 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine is sourced from PubChem (CID 106763885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).