3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione

C12H10F3NO2 — CID 114058156

IUPAC3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3NO2/c1-5-6(3-11(17)16-12(5)18)7-2-9(14)10(15)4-8(7)13/h2,4-6H,3H2,1H3,(H,16,17,18)
InChIKeyBQHMOJZEUUQZBY-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.87
Rot. Bonds1

About 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione

3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione (PubChem CID 114058156) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
PubChem CID114058156
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1c1cc(F)c(F)cc1F
InChIInChI=1S/C12H10F3NO2/c1-5-6(3-11(17)16-12(5)18)7-2-9(14)10(15)4-8(7)13/h2,4-6H,3H2,1H3,(H,16,17,18)
InChIKeyBQHMOJZEUUQZBY-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione?
The IUPAC name of 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione (CID 114058156) is 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione?
The canonical SMILES for 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione is CC1C(=O)NC(=O)CC1c1cc(F)c(F)cc1F.
What is the InChIKey of 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione?
The InChIKey is BQHMOJZEUUQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-5-6(3-11(17)16-12(5)18)7-2-9(14)10(15)4-8(7)13/h2,4-6H,3H2,1H3,(H,16,17,18).
What are the key properties of 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione?
3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione has a molecular weight of 257.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,4,5-trifluorophenyl)piperidine-2,6-dione is sourced from PubChem (CID 114058156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).