4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine

C13H16BrF2N — CID 146020261

IUPAC4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)11-5-7-17(8-6-11)9-13(15)16/h1-4,11,13H,5-9H2
InChIKeyRBDVLHIJAVXZLL-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.89
Rot. Bonds3

About 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine

4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine (PubChem CID 146020261) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine
PubChem CID146020261
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)11-5-7-17(8-6-11)9-13(15)16/h1-4,11,13H,5-9H2
InChIKeyRBDVLHIJAVXZLL-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-1-(2,2-difluoroethyl)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-bromophenyl)-1-(2,2-difluoroethyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine (CID 146020261) is 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine is FC(F)CN1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine?
The InChIKey is RBDVLHIJAVXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c14-12-3-1-10(2-4-12)11-5-7-17(8-6-11)9-13(15)16/h1-4,11,13H,5-9H2.
What are the key properties of 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine?
4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine has a molecular weight of 304.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(2,2-difluoroethyl)piperidine is sourced from PubChem (CID 146020261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).