1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione

C12H9BrF3NO2 — CID 19047174

IUPAC1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione
SMILESO=C1CC(C(F)(F)F)CC(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C12H9BrF3NO2/c13-8-1-3-9(4-2-8)17-10(18)5-7(6-11(17)19)12(14,15)16/h1-4,7H,5-6H2
InChIKeyOBBLMIAXFKPIJW-UHFFFAOYSA-N
MW336.11 g/mol
LogP3.28
Rot. Bonds1

About 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione

1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione (PubChem CID 19047174) has the molecular formula C12H9BrF3NO2 and a molecular weight of 336.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione
PubChem CID19047174
Molecular FormulaC12H9BrF3NO2
Molecular Weight336.11 g/mol
Exact Mass334.98
IUPAC Name1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione
SMILESO=C1CC(C(F)(F)F)CC(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C12H9BrF3NO2/c13-8-1-3-9(4-2-8)17-10(18)5-7(6-11(17)19)12(14,15)16/h1-4,7H,5-6H2
InChIKeyOBBLMIAXFKPIJW-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione?
The IUPAC name of 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione (CID 19047174) is 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione is O=C1CC(C(F)(F)F)CC(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione?
The InChIKey is OBBLMIAXFKPIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO2/c13-8-1-3-9(4-2-8)17-10(18)5-7(6-11(17)19)12(14,15)16/h1-4,7H,5-6H2.
What are the key properties of 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione?
1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione has a molecular weight of 336.11 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(trifluoromethyl)piperidine-2,6-dione is sourced from PubChem (CID 19047174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).